N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide

C17H12BrNO4 — CID 175651972

IUPACN-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3cccc(Br)c3)cc2c1
InChIInChI=1S/C17H12BrNO4/c1-22-13-5-6-14-10(7-13)8-15(23-17(14)21)16(20)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)
InChIKeyKBEQXLKICYTJJB-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.82
Rot. Bonds3

About N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide

N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide (PubChem CID 175651972) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
PubChem CID175651972
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC NameN-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3cccc(Br)c3)cc2c1
InChIInChI=1S/C17H12BrNO4/c1-22-13-5-6-14-10(7-13)8-15(23-17(14)21)16(20)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20)
InChIKeyKBEQXLKICYTJJB-UHFFFAOYSA-N
XLogP3.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-6-methoxy-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-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513
6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 175651899
6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
CID 172905265
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
CID 99797944
6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
CID 175652128
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide (CID 175651972) is N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)Nc3cccc(Br)c3)cc2c1.
What is the InChIKey of N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide?
The InChIKey is KBEQXLKICYTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c1-22-13-5-6-14-10(7-13)8-15(23-17(14)21)16(20)19-12-4-2-3-11(18)9-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide?
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 175651972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).