1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea

C15H20F2N2O — CID 71864833

IUPAC1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O/c1-10(11-3-4-11)19(2)15(20)18-8-7-12-9-13(16)5-6-14(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyHAHSJFNGROEGDD-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.95
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea

1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea (PubChem CID 71864833) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea
PubChem CID71864833
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O/c1-10(11-3-4-11)19(2)15(20)18-8-7-12-9-13(16)5-6-14(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyHAHSJFNGROEGDD-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea 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-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
3-[2-(4-chlorophenoxy)ethyl]-1-(1-cyclopropylethyl)-1-methylurea
CID 87000163
1-(1-cyclopropylethyl)-1-methyl-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 87006788
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea (CID 71864833) is 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea is CC(C1CC1)N(C)C(=O)NCCc1cc(F)ccc1F.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea?
The InChIKey is HAHSJFNGROEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(11-3-4-11)19(2)15(20)18-8-7-12-9-13(16)5-6-14(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea?
1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea has a molecular weight of 282.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 71864833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).