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

C23H17NO3 — CID 4237295

IUPACN-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1
InChIInChI=1S/C23H17NO3/c1-15-9-11-19(12-10-15)24-22(25)18-7-4-6-16(13-18)20-14-17-5-2-3-8-21(17)27-23(20)26/h2-14H,1H3,(H,24,25)
InChIKeyBEANFWYHWQTGOD-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.02
Rot. Bonds3

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

N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 4237295) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID4237295
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC NameN-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1
InChIInChI=1S/C23H17NO3/c1-15-9-11-19(12-10-15)24-22(25)18-7-4-6-16(13-18)20-14-17-5-2-3-8-21(17)27-23(20)26/h2-14H,1H3,(H,24,25)
InChIKeyBEANFWYHWQTGOD-UHFFFAOYSA-N
XLogP5.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.02
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

4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
N-[4-(diethylaminomethyl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3364599
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3996656
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3645617
3-methyl-4-nitro-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 23992064
3-(2-oxochromen-3-yl)-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 4038704
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3904320

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide (CID 4237295) is N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is BEANFWYHWQTGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-15-9-11-19(12-10-15)24-22(25)18-7-4-6-16(13-18)20-14-17-5-2-3-8-21(17)27-23(20)26/h2-14H,1H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide?
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 4237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).