N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide

C16H10ClNO3 — CID 23941378

IUPACN-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-15(19)14-9-21-16(20)13-7-2-1-6-12(13)14/h1-9H,(H,18,19)
InChIKeyYOPHHTMDVOWAMG-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.70
Rot. Bonds2

About N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide

N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide (PubChem CID 23941378) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
PubChem CID23941378
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC NameN-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-15(19)14-9-21-16(20)13-7-2-1-6-12(13)14/h1-9H,(H,18,19)
InChIKeyYOPHHTMDVOWAMG-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-oxoisochromene-4-carboxamide
CID 4183425
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N-(3-chlorophenyl)-2-fluorobenzamide
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N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
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[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
CID 22561455
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
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1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
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4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
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2-[2-[(3-chlorophenyl)carbamoyl]phenyl]acetate
CID 7009272
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide (CID 23941378) is N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1coc(=O)c2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide?
The InChIKey is YOPHHTMDVOWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-15(19)14-9-21-16(20)13-7-2-1-6-12(13)14/h1-9H,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide?
N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 23941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).