4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C16H21FN2O4 — CID 122094575

IUPAC4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1OCCF)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21FN2O4/c17-9-10-23-14-4-2-1-3-13(14)19-16(22)18-12-7-5-11(6-8-12)15(20)21/h1-4,11-12H,5-10H2,(H,20,21)(H2,18,19,22)
InChIKeyLNXDOKIMGKZWEZ-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.80
Rot. Bonds6

About 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122094575) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122094575
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1OCCF)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21FN2O4/c17-9-10-23-14-4-2-1-3-13(14)19-16(22)18-12-7-5-11(6-8-12)15(20)21/h1-4,11-12H,5-10H2,(H,20,21)(H2,18,19,22)
InChIKeyLNXDOKIMGKZWEZ-UHFFFAOYSA-N
XLogP2.80
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086897
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
4-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075338
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122094575) is 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccccc1OCCF)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LNXDOKIMGKZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c17-9-10-23-14-4-2-1-3-13(14)19-16(22)18-12-7-5-11(6-8-12)15(20)21/h1-4,11-12H,5-10H2,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 324.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122094575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).