N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide

C23H16ClNO3 — CID 5114053

IUPACN-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl
InChIInChI=1S/C23H16ClNO3/c1-14-9-10-18(13-20(14)24)25-22(26)17-7-4-6-15(11-17)19-12-16-5-2-3-8-21(16)28-23(19)27/h2-13H,1H3,(H,25,26)
InChIKeyUEZZEOGIIYRRDS-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.67
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide

N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 5114053) has the molecular formula C23H16ClNO3 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID5114053
Molecular FormulaC23H16ClNO3
Molecular Weight389.84 g/mol
Exact Mass389.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl
InChIInChI=1S/C23H16ClNO3/c1-14-9-10-18(13-20(14)24)25-22(26)17-7-4-6-15(11-17)19-12-16-5-2-3-8-21(16)28-23(19)27/h2-13H,1H3,(H,25,26)
InChIKeyUEZZEOGIIYRRDS-UHFFFAOYSA-N
XLogP5.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 1253836
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3909599
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-(2-oxochromen-3-yl)benzamide
CID 3365967
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
3-chloro-4-methyl-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17109812
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-[4-(diethylaminomethyl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3364599
3-(2-oxochromen-3-yl)-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 4038704

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide (CID 5114053) is N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is UEZZEOGIIYRRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3/c1-14-9-10-18(13-20(14)24)25-22(26)17-7-4-6-15(11-17)19-12-16-5-2-3-8-21(16)28-23(19)27/h2-13H,1H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 389.84 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 5114053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).