N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide

C16H9Cl2NO3 — CID 4905455

IUPACN-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C16H9Cl2NO3/c17-10-5-6-13(12(18)8-10)19-15(20)14-7-9-3-1-2-4-11(9)16(21)22-14/h1-8H,(H,19,20)
InChIKeyDSRAQQQGHMYSHQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.35
Rot. Bonds2

About N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide

N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide (PubChem CID 4905455) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
PubChem CID4905455
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC NameN-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C16H9Cl2NO3/c17-10-5-6-13(12(18)8-10)19-15(20)14-7-9-3-1-2-4-11(9)16(21)22-14/h1-8H,(H,19,20)
InChIKeyDSRAQQQGHMYSHQ-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

Analyze N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
CID 99797944
N-(2-methyl-4-nitrophenyl)-1-oxoisochromene-3-carboxamide
CID 4903893
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(4-acetylphenyl)-1-oxoisochromene-3-carboxamide
CID 753024
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
dimethyl 5-[(1-oxoisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1220137
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide
CID 4904458
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide (CID 4905455) is N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2c(=O)o1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide?
The InChIKey is DSRAQQQGHMYSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-10-5-6-13(12(18)8-10)19-15(20)14-7-9-3-1-2-4-11(9)16(21)22-14/h1-8H,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide?
N-(2,4-dichlorophenyl)-1-oxoisochromene-3-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 N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 4905455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).