(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C18H17F3N2O — CID 51895142

IUPAC(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,22,24)/t14-/m0/s1
InChIKeyKKGYFBBRGGQCTN-AWEZNQCLSA-N
MW334.34 g/mol
LogP4.73
Rot. Bonds2

About (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 51895142) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID51895142
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,22,24)/t14-/m0/s1
InChIKeyKKGYFBBRGGQCTN-AWEZNQCLSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
(4aS,8aS)-N-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573188
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
3-(4-cyclopropyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190728

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 51895142) is (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KKGYFBBRGGQCTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)15-8-4-5-9-16(15)22-17(24)23-11-10-14(12-23)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,22,24)/t14-/m0/s1.
What are the key properties of (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51895142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).