6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide

C16H9Cl2NO3 — CID 9068735

IUPAC6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C16H9Cl2NO3/c17-9-1-4-11(5-2-9)19-16(21)15-8-13(20)12-7-10(18)3-6-14(12)22-15/h1-8H,(H,19,21)
InChIKeyRTJXPXCMOIWHRQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.35
Rot. Bonds2

About 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide

6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide (PubChem CID 9068735) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
PubChem CID9068735
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C16H9Cl2NO3/c17-9-1-4-11(5-2-9)19-16(21)15-8-13(20)12-7-10(18)3-6-14(12)22-15/h1-8H,(H,19,21)
InChIKeyRTJXPXCMOIWHRQ-UHFFFAOYSA-N
XLogP4.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
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
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
6-chloro-N-[4-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-4-oxochromene-2-carboxamide
CID 52988546
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835237
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide (CID 9068735) is 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
The InChIKey is RTJXPXCMOIWHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-9-1-4-11(5-2-9)19-16(21)15-8-13(20)12-7-10(18)3-6-14(12)22-15/h1-8H,(H,19,21).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide?
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9068735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).