1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea

C10H10F2N2O — CID 108910441

IUPAC1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H10F2N2O/c1-6(2)13-10(15)14-9-5-7(11)3-4-8(9)12/h3-5H,1H2,2H3,(H2,13,14,15)
InChIKeySABYUBVTKRKKEM-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea

1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910441) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
PubChem CID108910441
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H10F2N2O/c1-6(2)13-10(15)14-9-5-7(11)3-4-8(9)12/h3-5H,1H2,2H3,(H2,13,14,15)
InChIKeySABYUBVTKRKKEM-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea 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-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446
1-(2,5-difluorophenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911187
1-(2,5-difluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452639
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea (CID 108910441) is 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea?
The InChIKey is SABYUBVTKRKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-6(2)13-10(15)14-9-5-7(11)3-4-8(9)12/h3-5H,1H2,2H3,(H2,13,14,15).
What are the key properties of 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea?
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea has a molecular weight of 212.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).