1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide

C19H23ClN2O — CID 113210973

IUPAC1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H23ClN2O/c20-13-7-8-17-15(11-13)16(12-21-17)19(9-10-19)18(23)22-14-5-3-1-2-4-6-14/h7-8,11-12,14,21H,1-6,9-10H2,(H,22,23)
InChIKeyGHQWWZULEIJZIG-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.69
Rot. Bonds3

About 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide

1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide (PubChem CID 113210973) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
PubChem CID113210973
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H23ClN2O/c20-13-7-8-17-15(11-13)16(12-21-17)19(9-10-19)18(23)22-14-5-3-1-2-4-6-14/h7-8,11-12,14,21H,1-6,9-10H2,(H,22,23)
InChIKeyGHQWWZULEIJZIG-UHFFFAOYSA-N
XLogP4.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
CID 113087497
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
CID 69259424
1-(5-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113210953

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide (CID 113210973) is 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide is O=C(NC1CCCCCC1)C1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide?
The InChIKey is GHQWWZULEIJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-13-7-8-17-15(11-13)16(12-21-17)19(9-10-19)18(23)22-14-5-3-1-2-4-6-14/h7-8,11-12,14,21H,1-6,9-10H2,(H,22,23).
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide is sourced from PubChem (CID 113210973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).