2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide

C16H17ClN2O — CID 9098999

IUPAC2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12(13-5-3-2-4-6-13)19-16(20)11-18-15-9-7-14(17)8-10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyIHYAMPGBZCEYQT-LBPRGKRZSA-N
MW288.78 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide

2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9098999) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID9098999
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12(13-5-3-2-4-6-13)19-16(20)11-18-15-9-7-14(17)8-10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyIHYAMPGBZCEYQT-LBPRGKRZSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide (CID 9098999) is 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is IHYAMPGBZCEYQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(13-5-3-2-4-6-13)19-16(20)11-18-15-9-7-14(17)8-10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide?
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 288.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9098999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).