1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C18H17ClN2O3 — CID 90459957

IUPAC1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23)
InChIKeyBOZWSAAWFASNST-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.09
Rot. Bonds3

About 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 90459957) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID90459957
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C18H17ClN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23)
InChIKeyBOZWSAAWFASNST-UHFFFAOYSA-N
XLogP4.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86288013
1-[[5-chloro-2-(3-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90460539
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 90460297
(2R)-1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86288007
1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90459396
(2R)-1-[(5-chloro-3-cyclohexyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 141417313
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
(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
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 90459957) is 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BOZWSAAWFASNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-13-8-9-14(12-5-2-1-3-6-12)15(11-13)20-18(24)21-10-4-7-16(21)17(22)23/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,24)(H,22,23).
What are the key properties of 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 344.80 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90459957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).