N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide

C17H12ClNO4 — CID 887096

IUPACN-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl
InChIInChI=1S/C17H12ClNO4/c1-22-15-7-6-10(8-12(15)18)19-17(21)16-9-13(20)11-4-2-3-5-14(11)23-16/h2-9H,1H3,(H,19,21)
InChIKeyNOZFRZSLKUVMOD-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.71
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide (PubChem CID 887096) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
PubChem CID887096
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl
InChIInChI=1S/C17H12ClNO4/c1-22-15-7-6-10(8-12(15)18)19-17(21)16-9-13(20)11-4-2-3-5-14(11)23-16/h2-9H,1H3,(H,19,21)
InChIKeyNOZFRZSLKUVMOD-UHFFFAOYSA-N
XLogP3.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-methylphenyl)-4-oxo-4H-chromene-2-carboxamide
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2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(o-tolyl)acetamide
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hPL-IN-2
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N-(3-methoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide (CID 887096) is N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide is COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is NOZFRZSLKUVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c1-22-15-7-6-10(8-12(15)18)19-17(21)16-9-13(20)11-4-2-3-5-14(11)23-16/h2-9H,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 887096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).