1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H14ClFN2O3 — CID 61199392

IUPAC1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H14ClFN2O3/c14-8-3-4-9(15)10(7-8)16-12(20)17-13(11(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,18,19)(H2,16,17,20)
InChIKeyPINOCAYWHLHODD-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.00
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61199392) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61199392
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC Name1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H14ClFN2O3/c14-8-3-4-9(15)10(7-8)16-12(20)17-13(11(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,18,19)(H2,16,17,20)
InChIKeyPINOCAYWHLHODD-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61199392) is 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PINOCAYWHLHODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c14-8-3-4-9(15)10(7-8)16-12(20)17-13(11(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 300.72 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61199392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).