3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

C17H23FN2O2 — CID 75379181

IUPAC3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c1-20(10-15(21)11-2-3-11)17(22)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,21H,2-5,10H2,1H3,(H,19,22)
InChIKeyJKRKDEJRYRCUGP-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.69
Rot. Bonds6

About 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (PubChem CID 75379181) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
PubChem CID75379181
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H23FN2O2/c1-20(10-15(21)11-2-3-11)17(22)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,21H,2-5,10H2,1H3,(H,19,22)
InChIKeyJKRKDEJRYRCUGP-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-methyl-1-[2-(1,2,4-triazol-4-yl)ethyl]urea
CID 97223637
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 110012924
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111858821
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015746
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859220

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (CID 75379181) is 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is CN(CC(O)C1CC1)C(=O)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The InChIKey is JKRKDEJRYRCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-20(10-15(21)11-2-3-11)17(22)19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,21H,2-5,10H2,1H3,(H,19,22).
What are the key properties of 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea has a molecular weight of 306.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 75379181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).