1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea

C18H26FN3O — CID 128811232

IUPAC1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
SMILESNC1CCCC(NC(=O)NC2CCC(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O/c19-14-4-1-3-12(9-14)13-7-8-17(10-13)22-18(23)21-16-6-2-5-15(20)11-16/h1,3-4,9,13,15-17H,2,5-8,10-11,20H2,(H2,21,22,23)
InChIKeyVHATVODFGBUUGQ-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.03
Rot. Bonds3

About 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea

1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea (PubChem CID 128811232) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
PubChem CID128811232
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
SMILESNC1CCCC(NC(=O)NC2CCC(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O/c19-14-4-1-3-12(9-14)13-7-8-17(10-13)22-18(23)21-16-6-2-5-15(20)11-16/h1,3-4,9,13,15-17H,2,5-8,10-11,20H2,(H2,21,22,23)
InChIKeyVHATVODFGBUUGQ-UHFFFAOYSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129479935
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
N-[3-(3-fluorophenyl)cyclopentyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 167971710
2-(cyclobutylmethyl)-1-[3-(3-fluorophenyl)cyclobutyl]guanidine;hydroiodide
CID 120671664
4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
CID 122033757
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea?
The IUPAC name of 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea (CID 128811232) is 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea.
What is the SMILES notation for 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea?
The canonical SMILES for 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea is NC1CCCC(NC(=O)NC2CCC(c3cccc(F)c3)C2)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea?
The InChIKey is VHATVODFGBUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c19-14-4-1-3-12(9-14)13-7-8-17(10-13)22-18(23)21-16-6-2-5-15(20)11-16/h1,3-4,9,13,15-17H,2,5-8,10-11,20H2,(H2,21,22,23).
What are the key properties of 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea?
1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea has a molecular weight of 319.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea is sourced from PubChem (CID 128811232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).