N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C18H20ClN3O2 — CID 32705841

IUPACN-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-6-8-15(19)9-7-14)20-11-18(24)22-17-5-3-4-16(10-17)21-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyYBSQZBQXABQWLN-LBPRGKRZSA-N
MW345.83 g/mol
LogP3.59
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 32705841) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID32705841
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-6-8-15(19)9-7-14)20-11-18(24)22-17-5-3-4-16(10-17)21-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyYBSQZBQXABQWLN-LBPRGKRZSA-N
XLogP3.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 32705841) is N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is YBSQZBQXABQWLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(14-6-8-15(19)9-7-14)20-11-18(24)22-17-5-3-4-16(10-17)21-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1.
What are the key properties of N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 32705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).