3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide

C17H17ClN2O2 — CID 17230707

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-2-19-17(22)13-4-3-5-15(11-13)20-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyUWGITNPLKLKKSK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.27
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide

3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide (PubChem CID 17230707) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
PubChem CID17230707
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-2-19-17(22)13-4-3-5-15(11-13)20-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyUWGITNPLKLKKSK-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-acetamido-N-ethylbenzamide
CID 17230670
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide (CID 17230707) is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is UWGITNPLKLKKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-19-17(22)13-4-3-5-15(11-13)20-16(21)10-12-6-8-14(18)9-7-12/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 17230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).