1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea

C15H21FN2O — CID 113214285

IUPAC1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCCC(C)NC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-3-11(2)18-14(19)17-10-15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,17,18,19)
InChIKeyJSQXSMUFQXWVOK-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.95
Rot. Bonds5

About 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea

1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (PubChem CID 113214285) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
PubChem CID113214285
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCCC(C)NC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-3-11(2)18-14(19)17-10-15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,17,18,19)
InChIKeyJSQXSMUFQXWVOK-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-pentylurea
CID 78885818
1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 78886107
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (CID 113214285) is 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is CCC(C)NC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The InChIKey is JSQXSMUFQXWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-11(2)18-14(19)17-10-15(8-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea has a molecular weight of 264.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).