6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide

C20H12ClNO3 — CID 792586

IUPAC6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C20H12ClNO3/c21-14-8-9-18-13(10-14)11-16(20(24)25-18)19(23)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H,(H,22,23)
InChIKeyNSQCWERIMLBIAQ-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.85
Rot. Bonds2

About 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide

6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide (PubChem CID 792586) has the molecular formula C20H12ClNO3 and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
PubChem CID792586
Molecular FormulaC20H12ClNO3
Molecular Weight349.77 g/mol
Exact Mass349.05
IUPAC Name6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C20H12ClNO3/c21-14-8-9-18-13(10-14)11-16(20(24)25-18)19(23)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H,(H,22,23)
InChIKeyNSQCWERIMLBIAQ-UHFFFAOYSA-N
XLogP4.85
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.85
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-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
CID 4276970
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 17096222
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
CID 110745226
methyl 3-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-methylbenzoate
CID 1246140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide (CID 792586) is 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide is O=C(Nc1cccc2ccccc12)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The InChIKey is NSQCWERIMLBIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO3/c21-14-8-9-18-13(10-14)11-16(20(24)25-18)19(23)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-11H,(H,22,23).
What are the key properties of 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 792586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).