4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C18H23FN2O4 — CID 122086184

IUPAC4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCC2)c(F)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-10-13(8-9-16(15)25-14-2-1-3-14)21-18(24)20-12-6-4-11(5-7-12)17(22)23/h8-12,14H,1-7H2,(H,22,23)(H2,20,21,24)
InChIKeyNAEMWPJDAWHDQH-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.52
Rot. Bonds5

About 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122086184) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122086184
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCC2)c(F)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-10-13(8-9-16(15)25-14-2-1-3-14)21-18(24)20-12-6-4-11(5-7-12)17(22)23/h8-12,14H,1-7H2,(H,22,23)(H2,20,21,24)
InChIKeyNAEMWPJDAWHDQH-UHFFFAOYSA-N
XLogP3.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092618
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080093
4-[4-[[5-(cyclohexylamino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 46701326
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
1-(4-cyclobutyloxy-3-fluorophenyl)-3-[1-(2,2-difluoroethyl)pyrazol-3-yl]urea
CID 75524717

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122086184) is 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(OC2CCC2)c(F)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NAEMWPJDAWHDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-15-10-13(8-9-16(15)25-14-2-1-3-14)21-18(24)20-12-6-4-11(5-7-12)17(22)23/h8-12,14H,1-7H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 350.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122086184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).