(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid

C17H14ClFN2O3 — CID 86287936

IUPAC(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
InChIInChI=1S/C17H14ClFN2O3/c18-12-9-14(20-17(24)21-7-6-15(21)16(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyRLQOFNDWUDOTPH-OAHLLOKOSA-N
MW348.76 g/mol
LogP3.84
Rot. Bonds3

About (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid

(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid (PubChem CID 86287936) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid
PubChem CID86287936
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
InChIInChI=1S/C17H14ClFN2O3/c18-12-9-14(20-17(24)21-7-6-15(21)16(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyRLQOFNDWUDOTPH-OAHLLOKOSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid with MolForge

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Related Compounds

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
2-{[(2-Chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}propanoic acid
CID 23645824
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-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287935
(2R)-1-[[5-chloro-2-(2,3-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287938
(2R)-1-[[5-chloro-2-(2-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287939

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid (CID 86287936) is (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1C(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1.
What is the InChIKey of (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid?
The InChIKey is RLQOFNDWUDOTPH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-12-9-14(20-17(24)21-7-6-15(21)16(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,20,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid?
(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid has a molecular weight of 348.76 g/mol, XLogP of 3.84, 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-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 86287936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).