2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C19H16ClNO3 — CID 21084805

IUPAC2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)CCC1
InChIInChI=1S/C19H16ClNO3/c20-14-9-7-12(8-10-14)13-3-1-4-15(11-13)21-18(22)16-5-2-6-17(16)19(23)24/h1,3-4,7-11H,2,5-6H2,(H,21,22)(H,23,24)
InChIKeyWOIDMUGHAVWMAJ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.51
Rot. Bonds4

About 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084805) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084805
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)CCC1
InChIInChI=1S/C19H16ClNO3/c20-14-9-7-12(8-10-14)13-3-1-4-15(11-13)21-18(22)16-5-2-6-17(16)19(23)24/h1,3-4,7-11H,2,5-6H2,(H,21,22)(H,23,24)
InChIKeyWOIDMUGHAVWMAJ-UHFFFAOYSA-N
XLogP4.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
3-(4-chlorophenyl)benzoic acid
CID 2757419
4-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
CID 91889079
(3-phenylphenyl)carbamic acid
CID 611602
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
2-[[2-fluoro-4-(4-methylsulfanylphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084761
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
CID 11396784
2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 167899542

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084805) is 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)CCC1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is WOIDMUGHAVWMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-14-9-7-12(8-10-14)13-3-1-4-15(11-13)21-18(22)16-5-2-6-17(16)19(23)24/h1,3-4,7-11H,2,5-6H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 341.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).