1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea

C10H12BrClN4O2 — CID 159080557

IUPAC1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea
SMILESCON=C(N)NC(=O)Nc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN4O2/c1-5-3-6(11)4-7(12)8(5)14-10(17)15-9(13)16-18-2/h3-4H,1-2H3,(H4,13,14,15,16,17)
InChIKeyMJRHTJBKNQTEOO-UHFFFAOYSA-N
MW335.59 g/mol
LogP2.41
Rot. Bonds2

About 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea

1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea (PubChem CID 159080557) has the molecular formula C10H12BrClN4O2 and a molecular weight of 335.59 g/mol. Its IUPAC name is 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea
PubChem CID159080557
Molecular FormulaC10H12BrClN4O2
Molecular Weight335.59 g/mol
Exact Mass333.98
IUPAC Name1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea
SMILESCON=C(N)NC(=O)Nc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN4O2/c1-5-3-6(11)4-7(12)8(5)14-10(17)15-9(13)16-18-2/h3-4H,1-2H3,(H4,13,14,15,16,17)
InChIKeyMJRHTJBKNQTEOO-UHFFFAOYSA-N
XLogP2.41
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)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-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
CID 43155915
4-bromo-2-chloro-N-iodo-6-methylaniline
CID 163457566
1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
CID 43551461
1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 88689423
1-(N'-methylcarbamimidoyl)-3-(2,4,6-trimethylphenyl)urea;hydrochloride
CID 3049564
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea?
The IUPAC name of 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea (CID 159080557) is 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea.
What is the SMILES notation for 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea?
The canonical SMILES for 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea is CON=C(N)NC(=O)Nc1c(C)cc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea?
The InChIKey is MJRHTJBKNQTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN4O2/c1-5-3-6(11)4-7(12)8(5)14-10(17)15-9(13)16-18-2/h3-4H,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea?
1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea has a molecular weight of 335.59 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea is sourced from PubChem (CID 159080557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).