1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea

C16H16F2N2O — CID 3714808

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C16H16F2N2O/c1-10-3-6-15(11(2)7-10)20-16(21)19-9-12-8-13(17)4-5-14(12)18/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyOCADBLTZBVUPBS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea

1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 3714808) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
PubChem CID3714808
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C16H16F2N2O/c1-10-3-6-15(11(2)7-10)20-16(21)19-9-12-8-13(17)4-5-14(12)18/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyOCADBLTZBVUPBS-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)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-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2,4-dimethylphenyl)-3-prop-2-ynylurea
CID 97180603
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-[[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 4001343

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea (CID 3714808) is 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCc2cc(F)ccc2F)c(C)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is OCADBLTZBVUPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-3-6-15(11(2)7-10)20-16(21)19-9-12-8-13(17)4-5-14(12)18/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea?
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 290.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 3714808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).