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

C16H15ClN2O2 — CID 2989490

IUPAC4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVHRVCAQAYVSOHY-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.02
Rot. Bonds4

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

4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 2989490) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
PubChem CID2989490
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVHRVCAQAYVSOHY-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

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (CID 2989490) is 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is VHRVCAQAYVSOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(4-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-(4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).