(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

C18H16ClFN2O3 — CID 86288011

IUPAC(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O3/c19-12-5-8-14(11-3-6-13(20)7-4-11)15(10-12)21-18(25)22-9-1-2-16(22)17(23)24/h3-8,10,16H,1-2,9H2,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyJOTLAIUWTWKLRU-MRXNPFEDSA-N
MW362.79 g/mol
LogP4.23
Rot. Bonds3

About (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86288011) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86288011
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O3/c19-12-5-8-14(11-3-6-13(20)7-4-11)15(10-12)21-18(25)22-9-1-2-16(22)17(23)24/h3-8,10,16H,1-2,9H2,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyJOTLAIUWTWKLRU-MRXNPFEDSA-N
XLogP4.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270841
1-[[5-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270934
1-[(5-Chloro-4-fluoro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 86270939
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
CID 86287798
(2S)-2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 939456
1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270933
1-[(5-Chloro-2-phenylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 86270935
1-[(5-Chloro-4-fluoro-2-phenylphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270936
1-[[5-Chloro-2-(4-fluorophenyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 86270937
(2R)-1-[(2-fluoro-6-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86287792
(2R)-1-[(3,5-difluoro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86287795

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 86288011) is (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JOTLAIUWTWKLRU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c19-12-5-8-14(11-3-6-13(20)7-4-11)15(10-12)21-18(25)22-9-1-2-16(22)17(23)24/h3-8,10,16H,1-2,9H2,(H,21,25)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 362.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86288011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).