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

C16H20F2N2O4 — CID 122086897

IUPAC4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1OCC(F)F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H20F2N2O4/c17-14(18)9-24-13-4-2-1-3-12(13)20-16(23)19-11-7-5-10(6-8-11)15(21)22/h1-4,10-11,14H,5-9H2,(H,21,22)(H2,19,20,23)
InChIKeyPNQFUPQNUPHUCH-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.10
Rot. Bonds6

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

4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122086897) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122086897
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1OCC(F)F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H20F2N2O4/c17-14(18)9-24-13-4-2-1-3-12(13)20-16(23)19-11-7-5-10(6-8-11)15(21)22/h1-4,10-11,14H,5-9H2,(H,21,22)(H2,19,20,23)
InChIKeyPNQFUPQNUPHUCH-UHFFFAOYSA-N
XLogP3.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094575
4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122090044
4-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085114
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
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-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122086894
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122086897) is 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccccc1OCC(F)F)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is PNQFUPQNUPHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c17-14(18)9-24-13-4-2-1-3-12(13)20-16(23)19-11-7-5-10(6-8-11)15(21)22/h1-4,10-11,14H,5-9H2,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 342.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122086897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).