3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H13ClN2O3 — CID 103550953

IUPAC3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-4-1-8(7-16)5-12(11)17-13(18)9-2-3-10(6-9)14(19)20/h1,4-5,9-10H,2-3,6H2,(H,17,18)(H,19,20)
InChIKeyKIWKRXKBKCOBRC-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.65
Rot. Bonds3

About 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550953) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550953
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-4-1-8(7-16)5-12(11)17-13(18)9-2-3-10(6-9)14(19)20/h1,4-5,9-10H,2-3,6H2,(H,17,18)(H,19,20)
InChIKeyKIWKRXKBKCOBRC-UHFFFAOYSA-N
XLogP2.65
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688731
(2R,5S)-5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945464
(1S,6R)-6-[(2-chloro-4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107807118
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 56951740
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
2-(2-chloro-4-cyanoanilino)cyclobutane-1-carboxylic acid
CID 107808920
(2R,5S)-5-[(2-chloro-4-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107807123
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788537
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550953) is 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid is N#Cc1ccc(Cl)c(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KIWKRXKBKCOBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-4-1-8(7-16)5-12(11)17-13(18)9-2-3-10(6-9)14(19)20/h1,4-5,9-10H,2-3,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).