N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide

C19H19ClN2O3 — CID 113175577

IUPACN-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)15-7-9-17(10-8-15)22(14(2)24)12-19(25)21-11-16-5-3-4-6-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyJBXRHLKRVRZDPS-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.21
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide (PubChem CID 113175577) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
PubChem CID113175577
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)15-7-9-17(10-8-15)22(14(2)24)12-19(25)21-11-16-5-3-4-6-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyJBXRHLKRVRZDPS-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide (CID 113175577) is N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide is CC(=O)c1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide?
The InChIKey is JBXRHLKRVRZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13(23)15-7-9-17(10-8-15)22(14(2)24)12-19(25)21-11-16-5-3-4-6-18(16)20/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide is sourced from PubChem (CID 113175577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).