3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

C17H17ClN2O2 — CID 27795286

IUPAC3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)19-16-8-4-6-14(10-16)17(22)20(2)11-13-5-3-7-15(18)9-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyBUYNCHPCOGXVFI-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds4

About 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 27795286) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID27795286
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)19-16-8-4-6-14(10-16)17(22)20(2)11-13-5-3-7-15(18)9-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyBUYNCHPCOGXVFI-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (CID 27795286) is 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is CC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is BUYNCHPCOGXVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(21)19-16-8-4-6-14(10-16)17(22)20(2)11-13-5-3-7-15(18)9-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 27795286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).