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

C17H21FN2O3 — CID 122023436

IUPAC4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O3/c18-13-3-1-2-12(10-13)17(8-9-17)20-16(23)19-14-6-4-11(5-7-14)15(21)22/h1-3,10-11,14H,4-9H2,(H,21,22)(H2,19,20,23)
InChIKeyHAXXKICIYBXJCF-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.76
Rot. Bonds4

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

4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122023436) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122023436
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C17H21FN2O3/c18-13-3-1-2-12(10-13)17(8-9-17)20-16(23)19-14-6-4-11(5-7-14)15(21)22/h1-3,10-11,14H,4-9H2,(H,21,22)(H2,19,20,23)
InChIKeyHAXXKICIYBXJCF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024059
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
4-[[4-[(3-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024702
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023334
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122023436) is 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HAXXKICIYBXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-13-3-1-2-12(10-13)17(8-9-17)20-16(23)19-14-6-4-11(5-7-14)15(21)22/h1-3,10-11,14H,4-9H2,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).