N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

C25H22ClNO4 — CID 78819682

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)CC(c1ccccc1)OC2=O
InChIInChI=1S/C25H22ClNO4/c1-27(15-19-13-20(26)9-11-22(19)30-2)24(28)17-8-10-21-18(12-17)14-23(31-25(21)29)16-6-4-3-5-7-16/h3-13,23H,14-15H2,1-2H3
InChIKeyGHKOJQZHRZMQRO-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.07
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (PubChem CID 78819682) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
PubChem CID78819682
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)CC(c1ccccc1)OC2=O
InChIInChI=1S/C25H22ClNO4/c1-27(15-19-13-20(26)9-11-22(19)30-2)24(28)17-8-10-21-18(12-17)14-23(31-25(21)29)16-6-4-3-5-7-16/h3-13,23H,14-15H2,1-2H3
InChIKeyGHKOJQZHRZMQRO-UHFFFAOYSA-N
XLogP5.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-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

(3S)-N-(furan-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8852042
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41447586
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-oxo-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydroisochromene-6-carboxamide
CID 166187776
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281
4-amino-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide
CID 41283301
methyl 4,5-dimethoxy-2-[(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]benzoate
CID 4911192
(3R)-N-[2-(4-methoxyphenoxy)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 40717999
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 55415973
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (CID 78819682) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)CC(c1ccccc1)OC2=O.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is GHKOJQZHRZMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-27(15-19-13-20(26)9-11-22(19)30-2)24(28)17-8-10-21-18(12-17)14-23(31-25(21)29)16-6-4-3-5-7-16/h3-13,23H,14-15H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 78819682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).