3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane

C19H24ClN3O2 — CID 142010859

IUPAC3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane
SMILESCCC.COc1ccc(/N=C(\N)NC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O2.C3H8/c1-10-7-11(9-12(17)8-10)15(21)20-16(18)19-13-3-5-14(22-2)6-4-13;1-3-2/h3-9H,1-2H3,(H3,18,19,20,21);3H2,1-2H3
InChIKeyYACXIOFLLQSVEY-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.45
Rot. Bonds3

About 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane

3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane (PubChem CID 142010859) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane.

Molecular Properties

Compound Name3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane
PubChem CID142010859
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane
SMILESCCC.COc1ccc(/N=C(\N)NC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O2.C3H8/c1-10-7-11(9-12(17)8-10)15(21)20-16(18)19-13-3-5-14(22-2)6-4-13;1-3-2/h3-9H,1-2H3,(H3,18,19,20,21);3H2,1-2H3
InChIKeyYACXIOFLLQSVEY-UHFFFAOYSA-N
XLogP4.45
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane?
The IUPAC name of 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane (CID 142010859) is 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane.
What is the SMILES notation for 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane?
The canonical SMILES for 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane is CCC.COc1ccc(/N=C(\N)NC(=O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane?
The InChIKey is YACXIOFLLQSVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2.C3H8/c1-10-7-11(9-12(17)8-10)15(21)20-16(18)19-13-3-5-14(22-2)6-4-13;1-3-2/h3-9H,1-2H3,(H3,18,19,20,21);3H2,1-2H3.
What are the key properties of 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane?
3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane has a molecular weight of 361.87 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[N'-(4-methoxyphenyl)carbamimidoyl]-5-methylbenzamide;propane is sourced from PubChem (CID 142010859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).