6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide

C18H13ClFNO5 — CID 99585387

IUPAC6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F
InChIInChI=1S/C18H13ClFNO5/c1-24-15-8-16(25-2)12(6-11(15)20)21-18(23)17-7-13(22)10-5-9(19)3-4-14(10)26-17/h3-8H,1-2H3,(H,21,23)
InChIKeyYRDISRCXGWKJEA-UHFFFAOYSA-N
MW377.76 g/mol
LogP3.86
Rot. Bonds4

About 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide

6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide (PubChem CID 99585387) has the molecular formula C18H13ClFNO5 and a molecular weight of 377.76 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
PubChem CID99585387
Molecular FormulaC18H13ClFNO5
Molecular Weight377.76 g/mol
Exact Mass377.05
IUPAC Name6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F
InChIInChI=1S/C18H13ClFNO5/c1-24-15-8-16(25-2)12(6-11(15)20)21-18(23)17-7-13(22)10-5-9(19)3-4-14(10)26-17/h3-8H,1-2H3,(H,21,23)
InChIKeyYRDISRCXGWKJEA-UHFFFAOYSA-N
XLogP3.86
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877631
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877254
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide (CID 99585387) is 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide is COc1cc(OC)c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1F.
What is the InChIKey of 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is YRDISRCXGWKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO5/c1-24-15-8-16(25-2)12(6-11(15)20)21-18(23)17-7-13(22)10-5-9(19)3-4-14(10)26-17/h3-8H,1-2H3,(H,21,23).
What are the key properties of 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide?
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 377.76 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 99585387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).