6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide

C18H14ClNO3 — CID 2987293

IUPAC6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1C
InChIInChI=1S/C18H14ClNO3/c1-10-4-3-5-15(11(10)2)20-17(21)14-9-12-8-13(19)6-7-16(12)23-18(14)22/h3-9H,1-2H3,(H,20,21)
InChIKeySKLUYMFROLWGDH-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.32
Rot. Bonds2

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

6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 2987293) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID2987293
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1C
InChIInChI=1S/C18H14ClNO3/c1-10-4-3-5-15(11(10)2)20-17(21)14-9-12-8-13(19)6-7-16(12)23-18(14)22/h3-9H,1-2H3,(H,20,21)
InChIKeySKLUYMFROLWGDH-UHFFFAOYSA-N
XLogP4.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.32
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

6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
methyl 3-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-methylbenzoate
CID 1246140
5-chloro-N-(2,3-dimethylphenyl)-2-hydrazinylbenzamide
CID 62241246
N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794377
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
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
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
CID 4276970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide (CID 2987293) is 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1C.
What is the InChIKey of 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is SKLUYMFROLWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-10-4-3-5-15(11(10)2)20-17(21)14-9-12-8-13(19)6-7-16(12)23-18(14)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide?
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2987293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).