2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide

C18H19ClN2O3 — CID 113171944

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)9-17(12)21(13(2)22)11-18(23)20-15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVHWXNMAXPKFDDC-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.65
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 113171944) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID113171944
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)9-17(12)21(13(2)22)11-18(23)20-15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVHWXNMAXPKFDDC-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 30170103
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
ethyl 4-[[2-(N-acetyl-5-chloro-2-methylanilino)acetyl]amino]benzoate
CID 113171974
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide (CID 113171944) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C(C)=O)c2cc(Cl)ccc2C)c1.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is VHWXNMAXPKFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-7-8-14(19)9-17(12)21(13(2)22)11-18(23)20-15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113171944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).