2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide

C23H17NO4 — CID 1378119

IUPAC2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-21-9-5-3-7-18(21)22(25)24-17-12-10-15(11-13-17)19-14-16-6-2-4-8-20(16)28-23(19)26/h2-14H,1H3,(H,24,25)
InChIKeyZORPRWNIHCQZMZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.72
Rot. Bonds4

About 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide

2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 1378119) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID1378119
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H17NO4/c1-27-21-9-5-3-7-18(21)22(25)24-17-12-10-15(11-13-17)19-14-16-6-2-4-8-20(16)28-23(19)26/h2-14H,1H3,(H,24,25)
InChIKeyZORPRWNIHCQZMZ-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

3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-[4-(1-benzofuran-2-carbonyl)phenyl]-2-methoxybenzamide
CID 42571061
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
2,4-dimethyl-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 2200235
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide (CID 1378119) is 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is ZORPRWNIHCQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-27-21-9-5-3-7-18(21)22(25)24-17-12-10-15(11-13-17)19-14-16-6-2-4-8-20(16)28-23(19)26/h2-14H,1H3,(H,24,25).
What are the key properties of 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide?
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]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 2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 1378119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).