1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea

C16H24FN3O — CID 60544274

IUPAC1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
SMILESCN(CCCNC(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-20(15-10-5-4-9-14(15)17)12-6-11-18-16(21)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H2,18,19,21)
InChIKeyPMSHUNOSRFBGRE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.89
Rot. Bonds6

About 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea

1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea (PubChem CID 60544274) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
PubChem CID60544274
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
SMILESCN(CCCNC(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-20(15-10-5-4-9-14(15)17)12-6-11-18-16(21)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H2,18,19,21)
InChIKeyPMSHUNOSRFBGRE-UHFFFAOYSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
1-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-thiophen-2-ylethyl)urea
CID 60547328
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea (CID 60544274) is 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea is CN(CCCNC(=O)NC1CCCC1)c1ccccc1F.
What is the InChIKey of 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea?
The InChIKey is PMSHUNOSRFBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-20(15-10-5-4-9-14(15)17)12-6-11-18-16(21)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea?
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea has a molecular weight of 293.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea is sourced from PubChem (CID 60544274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).