2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

C19H19ClN2O3 — CID 113162643

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(Cc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)15-7-5-8-17(10-15)21-19(25)12-22(14(2)24)11-16-6-3-4-9-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyQXMAOYBUOFWECS-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.53
Rot. Bonds6

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (PubChem CID 113162643) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
PubChem CID113162643
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(Cc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)15-7-5-8-17(10-15)21-19(25)12-22(14(2)24)11-16-6-3-4-9-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyQXMAOYBUOFWECS-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
CID 60565344
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113162608
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
N-[(3-acetylphenyl)carbamothioyl]-3-(2-chlorophenyl)propanamide
CID 17179278
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide (CID 113162643) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2Cl)C(C)=O)c1.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
The InChIKey is QXMAOYBUOFWECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13(23)15-7-5-8-17(10-15)21-19(25)12-22(14(2)24)11-16-6-3-4-9-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113162643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).