2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide

C18H19ClN2O2 — CID 113167289

IUPAC2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C18H19ClN2O2/c1-13-7-3-6-10-17(13)21(14(2)22)12-18(23)20-11-15-8-4-5-9-16(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGLFGYNBPMSMDMG-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.32
Rot. Bonds5

About 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide

2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113167289) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113167289
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C18H19ClN2O2/c1-13-7-3-6-10-17(13)21(14(2)22)12-18(23)20-11-15-8-4-5-9-16(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGLFGYNBPMSMDMG-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide (CID 113167289) is 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1C.
What is the InChIKey of 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is GLFGYNBPMSMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-7-3-6-10-17(13)21(14(2)22)12-18(23)20-11-15-8-4-5-9-16(15)19/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113167289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).