6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide

C16H8Cl3NO3 — CID 100795015

IUPAC6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C16H8Cl3NO3/c17-9-1-4-14-8(5-9)6-11(16(22)23-14)15(21)20-10-2-3-12(18)13(19)7-10/h1-7H,(H,20,21)
InChIKeyLDYKLVDZZWTCSV-UHFFFAOYSA-N
MW368.60 g/mol
LogP5.01
Rot. Bonds2

About 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide

6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 100795015) has the molecular formula C16H8Cl3NO3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
PubChem CID100795015
Molecular FormulaC16H8Cl3NO3
Molecular Weight368.60 g/mol
Exact Mass366.96
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C16H8Cl3NO3/c17-9-1-4-14-8(5-9)6-11(16(22)23-14)15(21)20-10-2-3-12(18)13(19)7-10/h1-7H,(H,20,21)
InChIKeyLDYKLVDZZWTCSV-UHFFFAOYSA-N
XLogP5.01
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 1111848
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100795033
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 2971776

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide (CID 100795015) is 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is LDYKLVDZZWTCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO3/c17-9-1-4-14-8(5-9)6-11(16(22)23-14)15(21)20-10-2-3-12(18)13(19)7-10/h1-7H,(H,20,21).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide?
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 368.60 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100795015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).