1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea

C11H15ClN4O — CID 13023376

IUPAC1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
SMILESCC/N=C(\N)NC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C11H15ClN4O/c1-3-14-10(13)16-11(17)15-9-7(2)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyNZCBJNYSVRAKNT-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea

1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea (PubChem CID 13023376) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
PubChem CID13023376
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
SMILESCC/N=C(\N)NC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C11H15ClN4O/c1-3-14-10(13)16-11(17)15-9-7(2)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyNZCBJNYSVRAKNT-UHFFFAOYSA-N
XLogP2.10
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
2-(2-chloro-6-methylphenyl)-N-(N'-ethylcarbamimidoyl)acetamide
CID 54505860
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
1-(3,4-dihydroxy-2,6-dimethylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 88689156
4-amino-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 66252939
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 171343437

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea (CID 13023376) is 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea is CC/N=C(\N)NC(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
The InChIKey is NZCBJNYSVRAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-3-14-10(13)16-11(17)15-9-7(2)5-4-6-8(9)12/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea?
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea has a molecular weight of 254.72 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea is sourced from PubChem (CID 13023376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).