(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide

C17H17ClN2O2 — CID 8019533

IUPAC(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyJXFGXPAILULBBQ-LLVKDONJSA-N
MW316.79 g/mol
LogP3.98
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide

(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide (PubChem CID 8019533) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
PubChem CID8019533
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyJXFGXPAILULBBQ-LLVKDONJSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide (CID 8019533) is (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The InChIKey is JXFGXPAILULBBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide has a molecular weight of 316.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide is sourced from PubChem (CID 8019533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).