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

C23H17NO4 — CID 2958481

IUPACN-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-21-9-5-3-7-19(21)24-22(25)16-12-10-15(11-13-16)18-14-17-6-2-4-8-20(17)28-23(18)26/h2-14H,1H3,(H,24,25)
InChIKeyKUVQQLPOACWJTG-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.72
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide (PubChem CID 2958481) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
PubChem CID2958481
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC NameN-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-21-9-5-3-7-19(21)24-22(25)16-12-10-15(11-13-16)18-14-17-6-2-4-8-20(17)28-23(18)26/h2-14H,1H3,(H,24,25)
InChIKeyKUVQQLPOACWJTG-UHFFFAOYSA-N
XLogP4.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide (CID 2958481) is N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide is COc1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide?
The InChIKey is KUVQQLPOACWJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-27-21-9-5-3-7-19(21)24-22(25)16-12-10-15(11-13-16)18-14-17-6-2-4-8-20(17)28-23(18)26/h2-14H,1H3,(H,24,25).
What are the key properties of N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide?
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide has a molecular weight of 371.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 2958481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).