1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

C17H23FN2O2 — CID 95279939

IUPAC1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCOC1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H23FN2O2/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)20-16(21)19-11-13-7-10-22-12-13/h3-6,13H,1-2,7-12H2,(H2,19,20,21)/t13-/m0/s1
InChIKeyPIGNLTDLLNONSM-ZDUSSCGKSA-N
MW306.38 g/mol
LogP2.93
Rot. Bonds4

About 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 95279939) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID95279939
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCOC1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H23FN2O2/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)20-16(21)19-11-13-7-10-22-12-13/h3-6,13H,1-2,7-12H2,(H2,19,20,21)/t13-/m0/s1
InChIKeyPIGNLTDLLNONSM-ZDUSSCGKSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746900
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746957
1-[1-(2-Fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 72007977
1-[(4-Fluorophenyl)methyl]-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91905737
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(oxolan-3-YL)methyl]urea
CID 91905751
1-[(4-Fluorophenyl)methyl]-3-methyl-3-[(oxolan-3-YL)methyl]urea
CID 110875848
N-(3-methoxypropyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47329903
3-Methyl-3-[(oxolan-3-YL)methyl]-1-(2-phenylethyl)urea
CID 91905755
N'-phenethyl-N-propyl-N-tetrahydro-3-furanylmethylurea
CID 91915463
3-Methyl-1-[(4-methylphenyl)methyl]-3-[(oxolan-3-YL)methyl]urea
CID 110875845
3-[Cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 71921363
1-(7-Fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-methyloxolan-3-yl)urea
CID 84595883

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 95279939) is 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is O=C(NC[C@@H]1CCOC1)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is PIGNLTDLLNONSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)20-16(21)19-11-13-7-10-22-12-13/h3-6,13H,1-2,7-12H2,(H2,19,20,21)/t13-/m0/s1.
What are the key properties of 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopentyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 95279939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).