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

C17H21FN2O3 — CID 122092618

IUPAC4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(C2CC2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H21FN2O3/c18-15-8-7-13(9-14(15)10-1-2-10)20-17(23)19-12-5-3-11(4-6-12)16(21)22/h7-12H,1-6H2,(H,21,22)(H2,19,20,23)
InChIKeyOGKGSDYKEOCBBE-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.47
Rot. Bonds4

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

4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122092618) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122092618
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(C2CC2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H21FN2O3/c18-15-8-7-13(9-14(15)10-1-2-10)20-17(23)19-12-5-3-11(4-6-12)16(21)22/h7-12H,1-6H2,(H,21,22)(H2,19,20,23)
InChIKeyOGKGSDYKEOCBBE-UHFFFAOYSA-N
XLogP3.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
4-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107368708
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080093
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122092618) is 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(F)c(C2CC2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OGKGSDYKEOCBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-15-8-7-13(9-14(15)10-1-2-10)20-17(23)19-12-5-3-11(4-6-12)16(21)22/h7-12H,1-6H2,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122092618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).