N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C18H19ClN2O2 — CID 9336592

IUPACN-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(14-7-9-15(19)10-8-14)20-11-18(23)21-17-6-4-3-5-16(17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyBDNDWMIAFDOVPY-LBPRGKRZSA-N
MW330.82 g/mol
LogP3.83
Rot. Bonds6

About N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9336592) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID9336592
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(14-7-9-15(19)10-8-14)20-11-18(23)21-17-6-4-3-5-16(17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyBDNDWMIAFDOVPY-LBPRGKRZSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
N-(2-acetylphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086100
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9043953
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 9336592) is N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is CC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is BDNDWMIAFDOVPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(14-7-9-15(19)10-8-14)20-11-18(23)21-17-6-4-3-5-16(17)13(2)22/h3-10,12,20H,11H2,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9336592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).