6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide

C18H14ClN3O — CID 86930386

IUPAC6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H14ClN3O/c1-22(11-13-4-2-3-12(7-13)10-20)18(23)17-8-14-5-6-15(19)9-16(14)21-17/h2-9,21H,11H2,1H3
InChIKeyPAWCNGCMXAFNSB-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.97
Rot. Bonds3

About 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide

6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 86930386) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID86930386
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H14ClN3O/c1-22(11-13-4-2-3-12(7-13)10-20)18(23)17-8-14-5-6-15(19)9-16(14)21-17/h2-9,21H,11H2,1H3
InChIKeyPAWCNGCMXAFNSB-UHFFFAOYSA-N
XLogP3.97
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
4,5-dichloro-N-[(3-chlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 86915193
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide (CID 86930386) is 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is PAWCNGCMXAFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-22(11-13-4-2-3-12(7-13)10-20)18(23)17-8-14-5-6-15(19)9-16(14)21-17/h2-9,21H,11H2,1H3.
What are the key properties of 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 86930386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).