6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide

C19H16ClN3O2 — CID 177139910

IUPAC6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc3c(c2)CNC3=O)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O2/c1-23-16-8-14(20)4-3-12(16)7-17(23)19(25)21-9-11-2-5-15-13(6-11)10-22-18(15)24/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyPZASPSOUQOMPRW-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.01
Rot. Bonds3

About 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide

6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide (PubChem CID 177139910) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
PubChem CID177139910
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc3c(c2)CNC3=O)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClN3O2/c1-23-16-8-14(20)4-3-12(16)7-17(23)19(25)21-9-11-2-5-15-13(6-11)10-22-18(15)24/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyPZASPSOUQOMPRW-UHFFFAOYSA-N
XLogP3.01
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-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

6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
1-(3-chloro-4-methylphenyl)-3-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]urea
CID 171851978
N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140115
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134500
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136541810
bis(5-chloro-2,3-dihydroisoindol-1-one);1,3-xylene
CID 67160058
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylindole-2-carboxamide
CID 55910222
N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
CID 177140137
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide (CID 177139910) is 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide is Cn1c(C(=O)NCc2ccc3c(c2)CNC3=O)cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide?
The InChIKey is PZASPSOUQOMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-16-8-14(20)4-3-12(16)7-17(23)19(25)21-9-11-2-5-15-13(6-11)10-22-18(15)24/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide?
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 177139910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).