1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

C17H24F2N2O3 — CID 75522387

IUPAC1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC(C)C(NC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O3/c1-11(2)15(13-5-4-12(18)10-14(13)19)21-16(22)20-7-6-17(3)23-8-9-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H2,20,21,22)
InChIKeyZMWKSGKDKQRGLH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (PubChem CID 75522387) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
PubChem CID75522387
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC(C)C(NC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O3/c1-11(2)15(13-5-4-12(18)10-14(13)19)21-16(22)20-7-6-17(3)23-8-9-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H2,20,21,22)
InChIKeyZMWKSGKDKQRGLH-UHFFFAOYSA-N
XLogP3.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2-chloro-4-fluorophenyl)ethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75522376
(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124854398
3-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122009561
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 99638302
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
5-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-2-methylbenzamide
CID 120638122
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (CID 75522387) is 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is CC(C)C(NC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The InChIKey is ZMWKSGKDKQRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-11(2)15(13-5-4-12(18)10-14(13)19)21-16(22)20-7-6-17(3)23-8-9-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea has a molecular weight of 342.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is sourced from PubChem (CID 75522387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).