3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H14ClFN2O3 — CID 107368735

IUPAC3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(F)cc(Cl)c1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H14ClFN2O3/c14-8-4-9(15)6-11(5-8)17-13(20)16-10-2-1-7(3-10)12(18)19/h4-7,10H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyTZXSKDCYJXWQSN-UHFFFAOYSA-N
MW300.72 g/mol
LogP2.85
Rot. Bonds3

About 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 107368735) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID107368735
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC Name3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(F)cc(Cl)c1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H14ClFN2O3/c14-8-4-9(15)6-11(5-8)17-13(20)16-10-2-1-7(3-10)12(18)19/h4-7,10H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyTZXSKDCYJXWQSN-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107368708
cis-(1R,3S)-3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320322
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
(1S,6R)-6-[(3-chloro-5-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107363761
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 107368735) is 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(F)cc(Cl)c1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is TZXSKDCYJXWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c14-8-4-9(15)6-11(5-8)17-13(20)16-10-2-1-7(3-10)12(18)19/h4-7,10H,1-3H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 300.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107368735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).