4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

C16H15ClN2O2 — CID 934733

IUPAC4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-15(20)10-18-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQBVJMTXNKNARFL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.02
Rot. Bonds4

About 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide

4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (PubChem CID 934733) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
PubChem CID934733
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-15(20)10-18-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyQBVJMTXNKNARFL-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2679820
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
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4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
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CID 110670281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide (CID 934733) is 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide is Cc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is QBVJMTXNKNARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-15(20)10-18-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 934733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).