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

C20H17ClN2O — CID 108767264

IUPAC4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O/c1-14-6-12-17(13-7-14)22-18-4-2-3-5-19(18)23-20(24)15-8-10-16(21)11-9-15/h2-13,22H,1H3,(H,23,24)
InChIKeyCARMECJEKFBUTO-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.64
Rot. Bonds4

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

4-chloro-N-[2-(4-methylanilino)phenyl]benzamide (PubChem CID 108767264) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
PubChem CID108767264
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O/c1-14-6-12-17(13-7-14)22-18-4-2-3-5-19(18)23-20(24)15-8-10-16(21)11-9-15/h2-13,22H,1H3,(H,23,24)
InChIKeyCARMECJEKFBUTO-UHFFFAOYSA-N
XLogP5.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745006
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745109
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-methyl-N-[2-(4-methylanilino)phenyl]-3,5-dinitrobenzamide
CID 108745001
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide (CID 108767264) is 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide is Cc1ccc(Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide?
The InChIKey is CARMECJEKFBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-14-6-12-17(13-7-14)22-18-4-2-3-5-19(18)23-20(24)15-8-10-16(21)11-9-15/h2-13,22H,1H3,(H,23,24).
What are the key properties of 4-chloro-N-[2-(4-methylanilino)phenyl]benzamide?
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide has a molecular weight of 336.82 g/mol, XLogP of 5.64, 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)phenyl]benzamide is sourced from PubChem (CID 108767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).