4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

C18H15F3N2O2 — CID 134055582

IUPAC4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-1-10(2-6-12)14-9-15(14)17(25)23-13-7-3-11(4-8-13)16(22)24/h1-8,14-15H,9H2,(H2,22,24)(H,23,25)
InChIKeyNYTVCCHJBZVHBF-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.55
Rot. Bonds4

About 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (PubChem CID 134055582) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
PubChem CID134055582
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-1-10(2-6-12)14-9-15(14)17(25)23-13-7-3-11(4-8-13)16(22)24/h1-8,14-15H,9H2,(H2,22,24)(H,23,25)
InChIKeyNYTVCCHJBZVHBF-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 78890969
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292
(1R,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2271070
(1S,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802032

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (CID 134055582) is 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is NC(=O)c1ccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The InChIKey is NYTVCCHJBZVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-1-10(2-6-12)14-9-15(14)17(25)23-13-7-3-11(4-8-13)16(22)24/h1-8,14-15H,9H2,(H2,22,24)(H,23,25).
What are the key properties of 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide has a molecular weight of 348.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 134055582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).