1-(2-chloro-4,6-difluorophenyl)-3-methylurea

C8H7ClF2N2O — CID 21161536

IUPAC1-(2-chloro-4,6-difluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O/c1-12-8(14)13-7-5(9)2-4(10)3-6(7)11/h2-3H,1H3,(H2,12,13,14)
InChIKeySJDXRXONOUGAKP-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.37
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)-3-methylurea

1-(2-chloro-4,6-difluorophenyl)-3-methylurea (PubChem CID 21161536) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-3-methylurea
PubChem CID21161536
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O/c1-12-8(14)13-7-5(9)2-4(10)3-6(7)11/h2-3H,1H3,(H2,12,13,14)
InChIKeySJDXRXONOUGAKP-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4,6-difluorophenyl)-3-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-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103878394
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
methyl 1-[(2-chloro-4,6-difluorophenyl)carbamoylamino]cyclopropane-1-carboxylate
CID 154752489
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 83074350
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
(E)-4-[(2-chloro-4,6-difluorophenyl)carbamoylamino]but-2-enoic acid
CID 112746697
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-methylurea?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-methylurea (CID 21161536) is 1-(2-chloro-4,6-difluorophenyl)-3-methylurea.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-3-methylurea?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-3-methylurea is CNC(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-3-methylurea?
The InChIKey is SJDXRXONOUGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c1-12-8(14)13-7-5(9)2-4(10)3-6(7)11/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-3-methylurea?
1-(2-chloro-4,6-difluorophenyl)-3-methylurea has a molecular weight of 220.61 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-3-methylurea is sourced from PubChem (CID 21161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).