2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide

C18H19ClN2O2 — CID 113172074

IUPAC2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(9-12)20-18(23)11-21(14(3)22)17-8-7-15(19)10-13(17)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKIQHFUCJDRCBGA-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.95
Rot. Bonds4

About 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide

2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 113172074) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
PubChem CID113172074
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(9-12)20-18(23)11-21(14(3)22)17-8-7-15(19)10-13(17)2/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKIQHFUCJDRCBGA-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113171944
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide (CID 113172074) is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(Cl)cc1C.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is KIQHFUCJDRCBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(9-12)20-18(23)11-21(14(3)22)17-8-7-15(19)10-13(17)2/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide?
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113172074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).