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

C15H21FN2O2 — CID 111337214

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(19)6-9-17-14(20)18-10-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,11,19H,6-10H2,1H3,(H2,17,18,20)
InChIKeySIBHHECXAJAXOU-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds6

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

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea (PubChem CID 111337214) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
PubChem CID111337214
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(19)6-9-17-14(20)18-10-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,11,19H,6-10H2,1H3,(H2,17,18,20)
InChIKeySIBHHECXAJAXOU-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-pentylurea
CID 78885818
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505638
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea (CID 111337214) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea?
The InChIKey is SIBHHECXAJAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(19)6-9-17-14(20)18-10-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,11,19H,6-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea has a molecular weight of 280.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).