4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide

C23H16ClNO4 — CID 98476084

IUPAC4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2o1
InChIInChI=1S/C23H16ClNO4/c1-28-20-5-3-2-4-18(20)22-13-19(26)17-11-10-16(12-21(17)29-22)25-23(27)14-6-8-15(24)9-7-14/h2-13H,1H3,(H,25,27)
InChIKeyXFHWMEUWEQSXSL-UHFFFAOYSA-N
MW405.84 g/mol
LogP5.37
Rot. Bonds4

About 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide

4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide (PubChem CID 98476084) has the molecular formula C23H16ClNO4 and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
PubChem CID98476084
Molecular FormulaC23H16ClNO4
Molecular Weight405.84 g/mol
Exact Mass405.08
IUPAC Name4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2o1
InChIInChI=1S/C23H16ClNO4/c1-28-20-5-3-2-4-18(20)22-13-19(26)17-11-10-16(12-21(17)29-22)25-23(27)14-6-8-15(24)9-7-14/h2-13H,1H3,(H,25,27)
InChIKeyXFHWMEUWEQSXSL-UHFFFAOYSA-N
XLogP5.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
CID 98476866
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
CID 167499224
4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
CID 27532654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide (CID 98476084) is 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide is COc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2o1.
What is the InChIKey of 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide?
The InChIKey is XFHWMEUWEQSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO4/c1-28-20-5-3-2-4-18(20)22-13-19(26)17-11-10-16(12-21(17)29-22)25-23(27)14-6-8-15(24)9-7-14/h2-13H,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide?
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide has a molecular weight of 405.84 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide is sourced from PubChem (CID 98476084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).