1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea

C15H23FN2O2 — CID 47139588

IUPAC1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H23FN2O2/c1-11(2)14(12-5-7-13(16)8-6-12)18-15(19)17-9-4-10-20-3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyLKJCFPHUKVOQCX-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.86
Rot. Bonds7

About 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea

1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea (PubChem CID 47139588) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
PubChem CID47139588
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H23FN2O2/c1-11(2)14(12-5-7-13(16)8-6-12)18-15(19)17-9-4-10-20-3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyLKJCFPHUKVOQCX-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.86
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

propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate
CID 42934625
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 94055737
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 134042561
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
CID 42935387
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea (CID 47139588) is 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea?
The InChIKey is LKJCFPHUKVOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)14(12-5-7-13(16)8-6-12)18-15(19)17-9-4-10-20-3/h5-8,11,14H,4,9-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea?
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea has a molecular weight of 282.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47139588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).