1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea

C13H16F3N3O — CID 63251608

IUPAC1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNC1CCCC1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)8-4-6-9(7-5-8)18-12(20)19-11-3-1-2-10(11)17/h4-7,10-11H,1-3,17H2,(H2,18,19,20)
InChIKeyRKNPOZUODHAGNS-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.71
Rot. Bonds2

About 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 63251608) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID63251608
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNC1CCCC1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)8-4-6-9(7-5-8)18-12(20)19-11-3-1-2-10(11)17/h4-7,10-11H,1-3,17H2,(H2,18,19,20)
InChIKeyRKNPOZUODHAGNS-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
CID 93452783
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 111840921
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 63251608) is 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea is NC1CCCC1NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is RKNPOZUODHAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)8-4-6-9(7-5-8)18-12(20)19-11-3-1-2-10(11)17/h4-7,10-11H,1-3,17H2,(H2,18,19,20).
What are the key properties of 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 287.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 63251608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).