[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea

C14H18FN3O2 — CID 168532079

IUPAC[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C14H18FN3O2/c15-13-7-10(8-17-18-14(16)19)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,16,18,19)
InChIKeyWJFGAZADBYGJFZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.29
Rot. Bonds5

About [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea

[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea (PubChem CID 168532079) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
PubChem CID168532079
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C14H18FN3O2/c15-13-7-10(8-17-18-14(16)19)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,16,18,19)
InChIKeyWJFGAZADBYGJFZ-UHFFFAOYSA-N
XLogP2.29
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168590831
[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
CID 168532047
[[3-fluoro-4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]urea
CID 168532103
2-N-[[4-(cyclohexyloxymethyl)-3-fluorophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626145
[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532134
[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532086
[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]thiourea
CID 168534487
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
[[3-[(4-cyano-2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533209
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340

Frequently Asked Questions

What is the IUPAC name of [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea?
The IUPAC name of [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea (CID 168532079) is [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea?
The canonical SMILES for [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(COC2CCCC2)c(F)c1.
What is the InChIKey of [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea?
The InChIKey is WJFGAZADBYGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-13-7-10(8-17-18-14(16)19)5-6-11(13)9-20-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,16,18,19).
What are the key properties of [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea?
[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea has a molecular weight of 279.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea is sourced from PubChem (CID 168532079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).