2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

C17H14F3NO2 — CID 84569198

IUPAC2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-10-4-2-9(3-5-10)11-8-12(11)17(22)21-14-7-6-13(18)15(19)16(14)20/h2-7,11-12H,8H2,1H3,(H,21,22)
InChIKeySJBHTTDSAHEGCH-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 84569198) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID84569198
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-10-4-2-9(3-5-10)11-8-12(11)17(22)21-14-7-6-13(18)15(19)16(14)20/h2-7,11-12H,8H2,1H3,(H,21,22)
InChIKeySJBHTTDSAHEGCH-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136641
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569199
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95326959

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (CID 84569198) is 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is SJBHTTDSAHEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-23-10-4-2-9(3-5-10)11-8-12(11)17(22)21-14-7-6-13(18)15(19)16(14)20/h2-7,11-12H,8H2,1H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 84569198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).