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

C20H22F2N2O2 — CID 60612250

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H22F2N2O2/c1-13(14-7-8-16(21)17(22)11-14)24-19(25)23-12-20(9-10-20)15-5-3-4-6-18(15)26-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24,25)
InChIKeyHENHOVVTSLTTHB-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.07
Rot. Bonds6

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

1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 60612250) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID60612250
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccccc1C1(CNC(=O)NC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H22F2N2O2/c1-13(14-7-8-16(21)17(22)11-14)24-19(25)23-12-20(9-10-20)15-5-3-4-6-18(15)26-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24,25)
InChIKeyHENHOVVTSLTTHB-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
CID 60612373
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75518109
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949244
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 42924591
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea (CID 60612250) is 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccccc1C1(CNC(=O)NC(C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is HENHOVVTSLTTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(14-7-8-16(21)17(22)11-14)24-19(25)23-12-20(9-10-20)15-5-3-4-6-18(15)26-2/h3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 360.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 60612250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).