2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide

C18H19ClN2O2 — CID 113172243

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(C)c1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyDMUACPHTSPCAEP-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.66
Rot. Bonds4

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide (PubChem CID 113172243) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
PubChem CID113172243
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(C)c1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyDMUACPHTSPCAEP-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
ethyl 4-[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113172220
3-(N-acetyl-3-chloro-4-methylanilino)-2-methylpropanoic acid
CID 82320541
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide (CID 113172243) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide is CC(=O)N(CC(=O)N(C)c1ccccc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide?
The InChIKey is DMUACPHTSPCAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide has a molecular weight of 330.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113172243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).