N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

C19H15N3O — CID 113209251

IUPACN-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H15N3O/c20-11-13-5-1-3-7-16(13)22-18(23)19(9-10-19)15-12-21-17-8-4-2-6-14(15)17/h1-8,12,21H,9-10H2,(H,22,23)
InChIKeyGKWTWQDOXPFXHS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.71
Rot. Bonds3

About N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113209251) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113209251
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H15N3O/c20-11-13-5-1-3-7-16(13)22-18(23)19(9-10-19)15-12-21-17-8-4-2-6-14(15)17/h1-8,12,21H,9-10H2,(H,22,23)
InChIKeyGKWTWQDOXPFXHS-UHFFFAOYSA-N
XLogP3.71
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113209251) is N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is N#Cc1ccccc1NC(=O)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is GKWTWQDOXPFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-11-13-5-1-3-7-16(13)22-18(23)19(9-10-19)15-12-21-17-8-4-2-6-14(15)17/h1-8,12,21H,9-10H2,(H,22,23).
What are the key properties of N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).