1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H17FN2O3 — CID 23607516

IUPAC1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FN2O3/c15-10-4-6-11(7-5-10)16-13(20)17-14(12(18)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,18,19)(H2,16,17,20)
InChIKeyNFECMZFDAOVQMB-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.73
Rot. Bonds3

About 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 23607516) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID23607516
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FN2O3/c15-10-4-6-11(7-5-10)16-13(20)17-14(12(18)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,18,19)(H2,16,17,20)
InChIKeyNFECMZFDAOVQMB-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 23607516) is 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(F)cc1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NFECMZFDAOVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-4-6-11(7-5-10)16-13(20)17-14(12(18)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23607516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).