1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea

C15H21FN2O2 — CID 38163692

IUPAC1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@H](C)NC(=O)NC2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-7-8-14(20-2)13(16)9-11)17-15(19)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyVKJBEHYOGWVKRU-JTQLQIEISA-N
MW280.34 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea

1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea (PubChem CID 38163692) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
PubChem CID38163692
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@H](C)NC(=O)NC2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-7-8-14(20-2)13(16)9-11)17-15(19)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyVKJBEHYOGWVKRU-JTQLQIEISA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 87023467
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
3-[1-(3-bromo-4-methoxyphenyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea (CID 38163692) is 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea is COc1ccc([C@H](C)NC(=O)NC2CCCC2)cc1F.
What is the InChIKey of 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The InChIKey is VKJBEHYOGWVKRU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(11-7-8-14(20-2)13(16)9-11)17-15(19)18-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H2,17,18,19)/t10-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea has a molecular weight of 280.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 38163692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).