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

C18H17ClN2O4 — CID 90459455

IUPAC1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-12-8-9-16(25-13-5-2-1-3-6-13)14(11-12)20-18(24)21-10-4-7-15(21)17(22)23/h1-3,5-6,8-9,11,15H,4,7,10H2,(H,20,24)(H,22,23)
InChIKeyLSPPTPSEKKUXCH-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.21
Rot. Bonds4

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

1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 90459455) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID90459455
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-12-8-9-16(25-13-5-2-1-3-6-13)14(11-12)20-18(24)21-10-4-7-15(21)17(22)23/h1-3,5-6,8-9,11,15H,4,7,10H2,(H,20,24)(H,22,23)
InChIKeyLSPPTPSEKKUXCH-UHFFFAOYSA-N
XLogP4.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 86288013
(2R)-1-[(5-chloro-3-cyclohexyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 141417313
N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924914
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
(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-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 90459455) is 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LSPPTPSEKKUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-12-8-9-16(25-13-5-2-1-3-6-13)14(11-12)20-18(24)21-10-4-7-15(21)17(22)23/h1-3,5-6,8-9,11,15H,4,7,10H2,(H,20,24)(H,22,23).
What are the key properties of 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 360.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90459455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).