1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

C19H17F3N2O4 — CID 90460297

IUPAC1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(OC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26)
InChIKeyHSUGRSJQTMSIRU-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.33
Rot. Bonds4

About 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 90460297) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID90460297
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(OC(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26)
InChIKeyHSUGRSJQTMSIRU-UHFFFAOYSA-N
XLogP4.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86288013
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2R)-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107642300
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
1-[[5-chloro-2-(3-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90460539
(2R)-1-[(5-chloro-3-cyclohexyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 141417313
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
(2R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxylic acid
CID 118058322
1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62812905

Frequently Asked Questions

What is the IUPAC name of 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 90460297) is 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cc(OC(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HSUGRSJQTMSIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c20-19(21,22)28-13-8-9-14(12-5-2-1-3-6-12)15(11-13)23-18(27)24-10-4-7-16(24)17(25)26/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,23,27)(H,25,26).
What are the key properties of 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 394.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).