1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

C20H20F3NO — CID 95164056

IUPAC1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3NO/c1-13-6-5-7-15(12-13)19(10-11-19)18(25)24-14(2)16-8-3-4-9-17(16)20(21,22)23/h3-9,12,14H,10-11H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyQPNAMZSHTGBKFC-CQSZACIVSA-N
MW347.38 g/mol
LogP4.92
Rot. Bonds4

About 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 95164056) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID95164056
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3NO/c1-13-6-5-7-15(12-13)19(10-11-19)18(25)24-14(2)16-8-3-4-9-17(16)20(21,22)23/h3-9,12,14H,10-11H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyQPNAMZSHTGBKFC-CQSZACIVSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
1-(3-methylphenyl)-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 138996297
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 97072133
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 66692493
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 95327258

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 95164056) is 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is QPNAMZSHTGBKFC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-13-6-5-7-15(12-13)19(10-11-19)18(25)24-14(2)16-8-3-4-9-17(16)20(21,22)23/h3-9,12,14H,10-11H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95164056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).