1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea

C18H19FN2O — CID 86987326

IUPAC1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C18H19FN2O/c1-13-7-10-16(19)17(11-13)20-18(22)21(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,22)
InChIKeyCFWMYWDCEKEAPY-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.33
Rot. Bonds4

About 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea

1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 86987326) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
PubChem CID86987326
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C18H19FN2O/c1-13-7-10-16(19)17(11-13)20-18(22)21(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,22)
InChIKeyCFWMYWDCEKEAPY-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2-fluoro-4-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711638
1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
CID 19935194
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide
CID 51118701
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
CID 4803240
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214
1-benzyl-3-(2,4-difluorophenyl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 70370290
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 87009238
1-benzyl-1-(4-cyclohexylcyclohexyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 19935061

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea (CID 86987326) is 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)N(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is CFWMYWDCEKEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-7-10-16(19)17(11-13)20-18(22)21(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea?
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 298.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 86987326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).