1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride

C10H14Cl2N4O2 — CID 158055964

IUPAC1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
SMILESCON=C(N)NC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C10H13ClN4O2.ClH/c1-6-4-3-5-7(11)8(6)13-10(16)14-9(12)15-17-2;/h3-5H,1-2H3,(H4,12,13,14,15,16);1H
InChIKeyFKBCNTVHZVMTMY-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride

1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride (PubChem CID 158055964) has the molecular formula C10H14Cl2N4O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
PubChem CID158055964
Molecular FormulaC10H14Cl2N4O2
Molecular Weight293.15 g/mol
Exact Mass292.05
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
SMILESCON=C(N)NC(=O)Nc1c(C)cccc1Cl.Cl
InChIInChI=1S/C10H13ClN4O2.ClH/c1-6-4-3-5-7(11)8(6)13-10(16)14-9(12)15-17-2;/h3-5H,1-2H3,(H4,12,13,14,15,16);1H
InChIKeyFKBCNTVHZVMTMY-UHFFFAOYSA-N
XLogP2.07
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.07
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'}

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Related Compounds

1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea
CID 159080557
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
CID 86795692
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
4-amino-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 66252939

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride (CID 158055964) is 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride is CON=C(N)NC(=O)Nc1c(C)cccc1Cl.Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride?
The InChIKey is FKBCNTVHZVMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2.ClH/c1-6-4-3-5-7(11)8(6)13-10(16)14-9(12)15-17-2;/h3-5H,1-2H3,(H4,12,13,14,15,16);1H.
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride?
1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride has a molecular weight of 293.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride is sourced from PubChem (CID 158055964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).