1-(4-bromo-2-chlorophenyl)-3-methylurea

C8H8BrClN2O — CID 21161446

IUPAC1-(4-bromo-2-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClN2O/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyQVACRBZSJSYBKV-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.85
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)-3-methylurea

1-(4-bromo-2-chlorophenyl)-3-methylurea (PubChem CID 21161446) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-methylurea
PubChem CID21161446
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClN2O/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyQVACRBZSJSYBKV-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)urea
CID 60759349
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
4-[(4-bromo-2-chlorophenyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992025
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668651
(2S)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61194468
(E)-4-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 43347448

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methylurea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-methylurea (CID 21161446) is 1-(4-bromo-2-chlorophenyl)-3-methylurea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-methylurea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-methylurea is CNC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-methylurea?
The InChIKey is QVACRBZSJSYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-methylurea?
1-(4-bromo-2-chlorophenyl)-3-methylurea has a molecular weight of 263.52 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-methylurea is sourced from PubChem (CID 21161446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).