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

C17H22F2N2O3 — CID 75477827

IUPAC1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)NCC2(c3ccc(F)cc3F)CC2)OCCO1
InChIInChI=1S/C17H22F2N2O3/c1-16(23-8-9-24-16)6-7-20-15(22)21-11-17(4-5-17)13-3-2-12(18)10-14(13)19/h2-3,10H,4-9,11H2,1H3,(H2,20,21,22)
InChIKeyGTNLWULKTMTRTC-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.45
Rot. Bonds6

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

1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (PubChem CID 75477827) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
PubChem CID75477827
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)NCC2(c3ccc(F)cc3F)CC2)OCCO1
InChIInChI=1S/C17H22F2N2O3/c1-16(23-8-9-24-16)6-7-20-15(22)21-11-17(4-5-17)13-3-2-12(18)10-14(13)19/h2-3,10H,4-9,11H2,1H3,(H2,20,21,22)
InChIKeyGTNLWULKTMTRTC-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (CID 75477827) is 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is CC1(CCNC(=O)NCC2(c3ccc(F)cc3F)CC2)OCCO1.
What is the InChIKey of 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The InChIKey is GTNLWULKTMTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-16(23-8-9-24-16)6-7-20-15(22)21-11-17(4-5-17)13-3-2-12(18)10-14(13)19/h2-3,10H,4-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
1-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea has a molecular weight of 340.37 g/mol, XLogP of 2.45, 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)cyclopropyl]methyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is sourced from PubChem (CID 75477827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).