1-(2-chloro-6-fluorophenyl)-3-methylurea

C8H8ClFN2O — CID 21161279

IUPAC1-(2-chloro-6-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyLZSUNGJYYCCRDT-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.23
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)-3-methylurea

1-(2-chloro-6-fluorophenyl)-3-methylurea (PubChem CID 21161279) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-methylurea
PubChem CID21161279
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyLZSUNGJYYCCRDT-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
(2S)-3-[(2-chloro-6-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007759
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
(2S)-2-[(2-chloro-6-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 104877889
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-[N-(2-chloro-6-fluorophenyl)-N'-(cyclopropylmethyl)carbamimidoyl]-3-methylurea
CID 70524031
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
CID 108896594

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methylurea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methylurea (CID 21161279) is 1-(2-chloro-6-fluorophenyl)-3-methylurea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-methylurea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-methylurea is CNC(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-methylurea?
The InChIKey is LZSUNGJYYCCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-methylurea?
1-(2-chloro-6-fluorophenyl)-3-methylurea has a molecular weight of 202.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-methylurea is sourced from PubChem (CID 21161279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).