1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

C18H16F3NO — CID 4782994

IUPAC1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-22-16(23)17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,22,23)
InChIKeyGUXPZULJOHGJKF-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.05
Rot. Bonds4

About 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 4782994) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID4782994
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-22-16(23)17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,22,23)
InChIKeyGUXPZULJOHGJKF-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 51123307
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119529643
4-[[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]carbamoylamino]methyl]benzoic acid
CID 122019974
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 4782994) is 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GUXPZULJOHGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-22-16(23)17(9-10-17)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,22,23).
What are the key properties of 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 4782994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).