4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide

C23H24Cl3N5O — CID 142270984

IUPAC4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
SMILESNCCC(C(=O)Nc1ccc(N)c(C(N)Nc2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl3N5O/c24-14-2-1-3-15(11-14)30-22(29)18-12-16(5-7-21(18)28)31-23(32)17(8-9-27)13-4-6-19(25)20(26)10-13/h1-7,10-12,17,22,30H,8-9,27-29H2,(H,31,32)
InChIKeyMKPZTASWYJFZFX-UHFFFAOYSA-N
MW492.84 g/mol
LogP5.37
Rot. Bonds8

About 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide

4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide (PubChem CID 142270984) has the molecular formula C23H24Cl3N5O and a molecular weight of 492.84 g/mol. Its IUPAC name is 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
PubChem CID142270984
Molecular FormulaC23H24Cl3N5O
Molecular Weight492.84 g/mol
Exact Mass491.10
IUPAC Name4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
SMILESNCCC(C(=O)Nc1ccc(N)c(C(N)Nc2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl3N5O/c24-14-2-1-3-15(11-14)30-22(29)18-12-16(5-7-21(18)28)31-23(32)17(8-9-27)13-4-6-19(25)20(26)10-13/h1-7,10-12,17,22,30H,8-9,27-29H2,(H,31,32)
InChIKeyMKPZTASWYJFZFX-UHFFFAOYSA-N
XLogP5.37
TPSA119.19 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.84
LogP ≤ 55.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide 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

4-amino-N-[4-amino-3-(N'-benzylcarbamimidoyl)phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270772
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
CID 10239139
N-[amino-[2-amino-5-[[4-amino-2-(3-chloro-2,6-difluorophenyl)butanoyl]amino]phenyl]methyl]thiophene-2-carboxamide
CID 142270732
4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
N-[2-amino-5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]benzenecarboximidoyl]-3-(trifluoromethyl)benzamide
CID 171926033
N-[4-amino-3-[amino-(3-cyanoanilino)methyl]phenyl]-2-(3-chloro-2,6-difluorophenyl)acetamide
CID 142270881
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
CID 10152751
4-amino-N-[4-amino-3-(2-chlorophenyl)-5-methanimidoylphenyl]-2-(3,4-dichlorophenyl)butanamide
CID 88964448
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 79525427

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide (CID 142270984) is 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide is NCCC(C(=O)Nc1ccc(N)c(C(N)Nc2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide?
The InChIKey is MKPZTASWYJFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3N5O/c24-14-2-1-3-15(11-14)30-22(29)18-12-16(5-7-21(18)28)31-23(32)17(8-9-27)13-4-6-19(25)20(26)10-13/h1-7,10-12,17,22,30H,8-9,27-29H2,(H,31,32).
What are the key properties of 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide?
4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide has a molecular weight of 492.84 g/mol, XLogP of 5.37, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 142270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).