1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H14ClFN2O — CID 113210989

IUPAC1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H14ClFN2O/c19-11-5-6-15-12(9-11)13(10-21-15)18(7-8-18)17(23)22-16-4-2-1-3-14(16)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeySHLWFFOPTKJDIR-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.63
Rot. Bonds3

About 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 113210989) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID113210989
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H14ClFN2O/c19-11-5-6-15-12(9-11)13(10-21-15)18(7-8-18)17(23)22-16-4-2-1-3-14(16)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeySHLWFFOPTKJDIR-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.63
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
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
1-(5-chloro-1H-indol-3-yl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 113210934
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 113210989) is 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1F)C1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SHLWFFOPTKJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-11-5-6-15-12(9-11)13(10-21-15)18(7-8-18)17(23)22-16-4-2-1-3-14(16)20/h1-6,9-10,21H,7-8H2,(H,22,23).
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.63, 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-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).