2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H16ClFN2O3 — CID 107368667

IUPAC2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c1-14(12(19)20)4-2-3-11(14)18-13(21)17-10-6-8(15)5-9(16)7-10/h5-7,11H,2-4H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyZTBBRIYRFAOXGJ-UHFFFAOYSA-N
MW314.74 g/mol
LogP3.24
Rot. Bonds3

About 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107368667) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID107368667
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c1-14(12(19)20)4-2-3-11(14)18-13(21)17-10-6-8(15)5-9(16)7-10/h5-7,11H,2-4H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyZTBBRIYRFAOXGJ-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 107368667) is 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is ZTBBRIYRFAOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-14(12(19)20)4-2-3-11(14)18-13(21)17-10-6-8(15)5-9(16)7-10/h5-7,11H,2-4H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 314.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107368667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).