2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide

C17H14F3NO2 — CID 113091163

IUPAC2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
SMILESCOc1ccc(C2(NC(=O)c3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-11-4-2-10(3-5-11)17(8-9-17)21-16(22)12-6-7-13(18)15(20)14(12)19/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyADGAFFIURKRACZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.53
Rot. Bonds4

About 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide

2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide (PubChem CID 113091163) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
PubChem CID113091163
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
SMILESCOc1ccc(C2(NC(=O)c3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-11-4-2-10(3-5-11)17(8-9-17)21-16(22)12-6-7-13(18)15(20)14(12)19/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyADGAFFIURKRACZ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 139007597
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446434
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
2-amino-N-[1-(3-chlorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110451706
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide (CID 113091163) is 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide is COc1ccc(C2(NC(=O)c3ccc(F)c(F)c3F)CC2)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide?
The InChIKey is ADGAFFIURKRACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-23-11-4-2-10(3-5-11)17(8-9-17)21-16(22)12-6-7-13(18)15(20)14(12)19/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide?
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide has a molecular weight of 321.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 113091163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).