3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea

C15H21FN2O — CID 38162216

IUPAC3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O/c1-2-18(11-12-6-5-7-13(16)10-12)15(19)17-14-8-3-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyUSTMKCTUHXMCNL-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.30
Rot. Bonds4

About 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea

3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea (PubChem CID 38162216) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
PubChem CID38162216
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O/c1-2-18(11-12-6-5-7-13(16)10-12)15(19)17-14-8-3-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyUSTMKCTUHXMCNL-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 52658204
1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006700
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
tert-butyl N-[1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 52682416
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
N-cyclohexyl-3-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]propanamide;hydroiodide
CID 111286488
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
N-cyclohexyl-2-[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide
CID 111286061

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea (CID 38162216) is 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea is CCN(Cc1cccc(F)c1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The InChIKey is USTMKCTUHXMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-18(11-12-6-5-7-13(16)10-12)15(19)17-14-8-3-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19).
What are the key properties of 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea has a molecular weight of 264.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 38162216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).