7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide

C18H23ClN2O — CID 58011401

IUPAC7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCCC2)c2cccc(Cl)c21
InChIInChI=1S/C18H23ClN2O/c1-21-12-15(14-9-6-10-16(19)17(14)21)18(22)20-11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,22)
InChIKeyPHJQCXCSYJGTII-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.53
Rot. Bonds3

About 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide

7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide (PubChem CID 58011401) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
PubChem CID58011401
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCCC2)c2cccc(Cl)c21
InChIInChI=1S/C18H23ClN2O/c1-21-12-15(14-9-6-10-16(19)17(14)21)18(22)20-11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,22)
InChIKeyPHJQCXCSYJGTII-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
CID 58011439
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide?
The IUPAC name of 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide (CID 58011401) is 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide?
The canonical SMILES for 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2CCCCCC2)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide?
The InChIKey is PHJQCXCSYJGTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-21-12-15(14-9-6-10-16(19)17(14)21)18(22)20-11-13-7-4-2-3-5-8-13/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,22).
What are the key properties of 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide?
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide has a molecular weight of 318.85 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 58011401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).