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

C18H20ClN3O2 — CID 26006629

IUPACN-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(16-8-3-4-9-17(16)19)20-11-18(24)22-15-7-5-6-14(10-15)21-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyCTXVREFPAMNJEC-LBPRGKRZSA-N
MW345.83 g/mol
LogP3.59
Rot. Bonds6

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

N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (PubChem CID 26006629) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
PubChem CID26006629
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(16-8-3-4-9-17(16)19)20-11-18(24)22-15-7-5-6-14(10-15)21-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyCTXVREFPAMNJEC-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

N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide (CID 26006629) is N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide is CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is CTXVREFPAMNJEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(16-8-3-4-9-17(16)19)20-11-18(24)22-15-7-5-6-14(10-15)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-(2-chlorophenyl)ethyl]amino]acetamide?
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-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-(2-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 26006629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).