(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C17H19F3N2O2 — CID 120963617

IUPAC(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C17H19F3N2O2/c1-10-4-2-3-5-12(10)16(6-7-16)15(24)22-8-11(14(21)23)13(9-22)17(18,19)20/h2-5,11,13H,6-9H2,1H3,(H2,21,23)/t11-,13-/m1/s1
InChIKeyATFHBZDTYNNWGZ-DGCLKSJQSA-N
MW340.35 g/mol
LogP2.15
Rot. Bonds3

About (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963617) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963617
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C17H19F3N2O2/c1-10-4-2-3-5-12(10)16(6-7-16)15(24)22-8-11(14(21)23)13(9-22)17(18,19)20/h2-5,11,13H,6-9H2,1H3,(H2,21,23)/t11-,13-/m1/s1
InChIKeyATFHBZDTYNNWGZ-DGCLKSJQSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248
(3S,4S)-1-(1-phenylcyclobutanecarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950952
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723
5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 122117216
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
(3S,4S)-1-(2-phenylmethoxyacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949528
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone;hydrochloride
CID 120747893
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
(3S,4S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 154796950
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963617) is (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ccccc1C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1.
What is the InChIKey of (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ATFHBZDTYNNWGZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-4-2-3-5-12(10)16(6-7-16)15(24)22-8-11(14(21)23)13(9-22)17(18,19)20/h2-5,11,13H,6-9H2,1H3,(H2,21,23)/t11-,13-/m1/s1.
What are the key properties of (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).