1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea

C11H14Cl2N4O — CID 54536582

IUPAC1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea
SMILES[H]/N=C(\N)N(C(=O)NC)c1c(Cl)cc(Cl)cc1CC
InChIInChI=1S/C11H14Cl2N4O/c1-3-6-4-7(12)5-8(13)9(6)17(10(14)15)11(18)16-2/h4-5H,3H2,1-2H3,(H3,14,15)(H,16,18)
InChIKeyZAFBEQGQPXBBHL-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.60
Rot. Bonds2

About 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea

1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea (PubChem CID 54536582) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea
PubChem CID54536582
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea
SMILES[H]/N=C(\N)N(C(=O)NC)c1c(Cl)cc(Cl)cc1CC
InChIInChI=1S/C11H14Cl2N4O/c1-3-6-4-7(12)5-8(13)9(6)17(10(14)15)11(18)16-2/h4-5H,3H2,1-2H3,(H3,14,15)(H,16,18)
InChIKeyZAFBEQGQPXBBHL-UHFFFAOYSA-N
XLogP2.60
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.60
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-carbamimidoyl-1-(2-chloro-4-fluoro-6-methylphenyl)-3-methylurea
CID 54465726
1-(2-bromo-6-propylphenyl)-1-carbamimidoyl-3-methylurea
CID 54221536
N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
CID 21413966
3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
CID 23348813
1,2,5-trichloro-3-ethylbenzene
CID 70861390
1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine
CID 3045545
1-(4-chloro-2-ethyl-6-fluorophenyl)-3-(diaminomethylidene)-1-methylurea
CID 23348994
4-chloro-2,6-diethylaniline
CID 14348967
2-(4-chloro-2,6-diethylphenyl)guanidine
CID 57107776
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
CID 47365771

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea?
The IUPAC name of 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea (CID 54536582) is 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea.
What is the SMILES notation for 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea?
The canonical SMILES for 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea is [H]/N=C(\N)N(C(=O)NC)c1c(Cl)cc(Cl)cc1CC.
What is the InChIKey of 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea?
The InChIKey is ZAFBEQGQPXBBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-3-6-4-7(12)5-8(13)9(6)17(10(14)15)11(18)16-2/h4-5H,3H2,1-2H3,(H3,14,15)(H,16,18).
What are the key properties of 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea?
1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea has a molecular weight of 289.17 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-(2,4-dichloro-6-ethylphenyl)-3-methylurea is sourced from PubChem (CID 54536582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).