2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide

C18H19ClN2O2 — CID 113171684

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O2/c1-13-16(19)9-6-10-17(13)21(14(2)22)12-18(23)20-11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCRLUZBYKQLAWGV-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.32
Rot. Bonds5

About 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide

2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide (PubChem CID 113171684) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
PubChem CID113171684
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C18H19ClN2O2/c1-13-16(19)9-6-10-17(13)21(14(2)22)12-18(23)20-11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCRLUZBYKQLAWGV-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-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 143624755
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide (CID 113171684) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide is CC(=O)N(CC(=O)NCc1ccccc1)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide?
The InChIKey is CRLUZBYKQLAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-16(19)9-6-10-17(13)21(14(2)22)12-18(23)20-11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide 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-3-chloro-2-methylanilino)-N-benzylacetamide is sourced from PubChem (CID 113171684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).