N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C18H26Cl2N4O2 — CID 9198085

IUPACN-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCCN1CCN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N4O2/c1-4-23-7-9-24(10-8-23)18(26)13(2)22(3)12-17(25)21-14-5-6-15(19)16(20)11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyLYHZRCKQKKGZLQ-CYBMUJFWSA-N
MW401.34 g/mol
LogP2.42
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 9198085) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID9198085
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC NameN-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCCN1CCN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N4O2/c1-4-23-7-9-24(10-8-23)18(26)13(2)22(3)12-17(25)21-14-5-6-15(19)16(20)11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyLYHZRCKQKKGZLQ-CYBMUJFWSA-N
XLogP2.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
2-[(2-chlorophenyl)methyl-methylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78786364
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N,N-dimethylacetamide
CID 95901676
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801808
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 9198085) is N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is CCN1CCN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is LYHZRCKQKKGZLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26Cl2N4O2/c1-4-23-7-9-24(10-8-23)18(26)13(2)22(3)12-17(25)21-14-5-6-15(19)16(20)11-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 401.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 9198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).