(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C18H16F2N2O3 — CID 86287795

IUPAC(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1-c1ccccc1
InChIInChI=1S/C18H16F2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1
InChIKeyLVCLTUHMYIBQLD-OAHLLOKOSA-N
MW346.33 g/mol
LogP3.71
Rot. Bonds3

About (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86287795) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86287795
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1-c1ccccc1
InChIInChI=1S/C18H16F2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1
InChIKeyLVCLTUHMYIBQLD-OAHLLOKOSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
CID 86287798
1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
(S)-2-{[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-amino}-3-phenyl-propionic acid
CID 2001962
Pyrrolidine-1,2-dicarboxylic acid 2-(4-fluoro-benzylamide) 1-[(3-fluoro-phenyl)-amide]
CID 3230246
1-[4-Carboxy-4-(3-phenyl-ureido)-butyryl]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13937781
(S)-1-(o-tolylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510125
(S)-1-Phenylcarbamoyl-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44281158
5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-2,5-dihydro-1H-pyrrole-2-carbonyl)-amino]-pentanoic acid
CID 44392303
5-[(1-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetyl}-pyrrolidine-2-carbonyl)-amino]-pentanoic acid
CID 44392356
Pyrrolidine-1,2-dicarboxylic acid 2-(2-fluoro-benzylamide) 1-[(3-fluoro-phenyl)-amide]
CID 3230245
(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86287792
(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 86288011

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86287795) is (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1cc(F)cc(F)c1-c1ccccc1.
What is the InChIKey of (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LVCLTUHMYIBQLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 346.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86287795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).