1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

C18H13F3N2O — CID 113209255

IUPAC1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H13F3N2O/c19-12-5-6-14(16(21)15(12)20)23-17(24)18(7-8-18)11-9-22-13-4-2-1-3-10(11)13/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeySAEBIIRZVWEVRO-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.26
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 113209255) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID113209255
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H13F3N2O/c19-12-5-6-14(16(21)15(12)20)23-17(24)18(7-8-18)11-9-22-13-4-2-1-3-10(11)13/h1-6,9,22H,7-8H2,(H,23,24)
InChIKeySAEBIIRZVWEVRO-UHFFFAOYSA-N
XLogP4.26
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(5-chloro-1H-indol-3-yl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 113210989
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (CID 113209255) is 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SAEBIIRZVWEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-12-5-6-14(16(21)15(12)20)23-17(24)18(7-8-18)11-9-22-13-4-2-1-3-10(11)13/h1-6,9,22H,7-8H2,(H,23,24).
What are the key properties of 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).