1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea

C11H14Cl2N4O3 — CID 88689423

IUPAC1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
SMILESC/N=C(\N)NC(=O)Nc1c(Cl)cc(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2N4O3/c1-15-10(14)17-11(18)16-8-5(12)4-6(19-2)9(20-3)7(8)13/h4H,1-3H3,(H4,14,15,16,17,18)
InChIKeyKZKQHWHPANIUJU-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.08
Rot. Bonds3

About 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea

1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea (PubChem CID 88689423) has the molecular formula C11H14Cl2N4O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea.

Molecular Properties

Compound Name1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
PubChem CID88689423
Molecular FormulaC11H14Cl2N4O3
Molecular Weight321.16 g/mol
Exact Mass320.04
IUPAC Name1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
SMILESC/N=C(\N)NC(=O)Nc1c(Cl)cc(OC)c(OC)c1Cl
InChIInChI=1S/C11H14Cl2N4O3/c1-15-10(14)17-11(18)16-8-5(12)4-6(19-2)9(20-3)7(8)13/h4H,1-3H3,(H4,14,15,16,17,18)
InChIKeyKZKQHWHPANIUJU-UHFFFAOYSA-N
XLogP2.08
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3-(N,N'-diethylcarbamimidoyl)urea
CID 54164619
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
2-(carbamothioylamino)-3,4,5-trimethoxybenzoic acid
CID 169356258
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
CID 91250846
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea?
The IUPAC name of 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea (CID 88689423) is 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea.
What is the SMILES notation for 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea?
The canonical SMILES for 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea is C/N=C(\N)NC(=O)Nc1c(Cl)cc(OC)c(OC)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea?
The InChIKey is KZKQHWHPANIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O3/c1-15-10(14)17-11(18)16-8-5(12)4-6(19-2)9(20-3)7(8)13/h4H,1-3H3,(H4,14,15,16,17,18).
What are the key properties of 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea?
1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea has a molecular weight of 321.16 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea is sourced from PubChem (CID 88689423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).