1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea

C16H23FN2O — CID 86900807

IUPAC1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)9-10-18-16(20)19-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyWNJCTVQOKDLBLE-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.62
Rot. Bonds6

About 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea (PubChem CID 86900807) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
PubChem CID86900807
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)9-10-18-16(20)19-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyWNJCTVQOKDLBLE-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 75379181
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea (CID 86900807) is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea?
The InChIKey is WNJCTVQOKDLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)9-10-18-16(20)19-15(12-3-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea?
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea has a molecular weight of 278.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 86900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).