2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide

C98H128Cl8N12O8 — CID 157444124

IUPAC2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CCN(CC)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1
InChIInChI=1S/C26H35Cl2N3O2.C25H33Cl2N3O2.C24H31Cl2N3O2.C23H29Cl2N3O2/c1-3-30(4-2)15-12-25(32)19-22-6-5-7-23(18-22)29-26(33)20-21-8-10-24(11-9-21)31(16-13-27)17-14-28;1-3-29(4-2)19-24(31)17-21-6-5-7-22(16-21)28-25(32)18-20-8-10-23(11-9-20)30(14-12-26)15-13-27;1-28(2)13-10-23(30)17-20-4-3-5-21(16-20)27-24(31)18-19-6-8-22(9-7-19)29(14-11-25)15-12-26;1-27(2)17-22(29)15-19-4-3-5-20(14-19)26-23(30)16-18-6-8-21(9-7-18)28(12-10-24)13-11-25/h5-11,18H,3-4,12-17,19-20H2,1-2H3,(H,29,33);5-11,16H,3-4,12-15,17-19H2,1-2H3,(H,28,32);3-9,16H,10-15,17-18H2,1-2H3,(H,27,31);3-9,14H,10-13,15-17H2,1-2H3,(H,26,30)
InChIKeyBSADIQKUZFILNJ-UHFFFAOYSA-N
MW1885.80 g/mol
LogP17.64
Rot. Bonds54

About 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide

2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide (PubChem CID 157444124) has the molecular formula C98H128Cl8N12O8 and a molecular weight of 1885.80 g/mol. Its IUPAC name is 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide
PubChem CID157444124
Molecular FormulaC98H128Cl8N12O8
Molecular Weight1885.80 g/mol
Exact Mass1880.75
IUPAC Name2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide
SMILESCCN(CC)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CCN(CC)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1
InChIInChI=1S/C26H35Cl2N3O2.C25H33Cl2N3O2.C24H31Cl2N3O2.C23H29Cl2N3O2/c1-3-30(4-2)15-12-25(32)19-22-6-5-7-23(18-22)29-26(33)20-21-8-10-24(11-9-21)31(16-13-27)17-14-28;1-3-29(4-2)19-24(31)17-21-6-5-7-22(16-21)28-25(32)18-20-8-10-23(11-9-20)30(14-12-26)15-13-27;1-28(2)13-10-23(30)17-20-4-3-5-21(16-20)27-24(31)18-19-6-8-22(9-7-19)29(14-11-25)15-12-26;1-27(2)17-22(29)15-19-4-3-5-20(14-19)26-23(30)16-18-6-8-21(9-7-18)28(12-10-24)13-11-25/h5-11,18H,3-4,12-17,19-20H2,1-2H3,(H,29,33);5-11,16H,3-4,12-15,17-19H2,1-2H3,(H,28,32);3-9,16H,10-15,17-18H2,1-2H3,(H,27,31);3-9,14H,10-13,15-17H2,1-2H3,(H,26,30)
InChIKeyBSADIQKUZFILNJ-UHFFFAOYSA-N
XLogP17.64
TPSA210.60 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.80
LogP ≤ 517.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]acetamide
CID 158072926
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
2-[4-[bis(2-chloroethyl)amino]phenyl]-N-cyclopenta-1,4-dien-1-ylacetamide;cyclopenta-1,3-diene;iron(2+)
CID 3052345
1-(4-chlorophenyl)-4-(diethylamino)butan-2-one
CID 79077394
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[3-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoyl]amino]pentyl]benzamide
CID 11958333
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 25018558
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide?
The IUPAC name of 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide (CID 157444124) is 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide is CCN(CC)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CCN(CC)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.CN(C)CCC(=O)Cc1cccc(NC(=O)Cc2ccc(N(CCCl)CCCl)cc2)c1.
What is the InChIKey of 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide?
The InChIKey is BSADIQKUZFILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2N3O2.C25H33Cl2N3O2.C24H31Cl2N3O2.C23H29Cl2N3O2/c1-3-30(4-2)15-12-25(32)19-22-6-5-7-23(18-22)29-26(33)20-21-8-10-24(11-9-21)31(16-13-27)17-14-28;1-3-29(4-2)19-24(31)17-21-6-5-7-22(16-21)28-25(32)18-20-8-10-23(11-9-20)30(14-12-26)15-13-27;1-28(2)13-10-23(30)17-20-4-3-5-21(16-20)27-24(31)18-19-6-8-22(9-7-19)29(14-11-25)15-12-26;1-27(2)17-22(29)15-19-4-3-5-20(14-19)26-23(30)16-18-6-8-21(9-7-18)28(12-10-24)13-11-25/h5-11,18H,3-4,12-17,19-20H2,1-2H3,(H,29,33);5-11,16H,3-4,12-15,17-19H2,1-2H3,(H,28,32);3-9,16H,10-15,17-18H2,1-2H3,(H,27,31);3-9,14H,10-13,15-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide?
2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide has a molecular weight of 1885.80 g/mol, XLogP of 17.64, 54 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(diethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(diethylamino)-2-oxopropyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[4-(dimethylamino)-2-oxobutyl]phenyl]acetamide;2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[3-[3-(dimethylamino)-2-oxopropyl]phenyl]acetamide is sourced from PubChem (CID 157444124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).