3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride

C16H18Cl3N3 — CID 44523237

IUPAC3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3.ClH/c17-13-3-1-12(2-4-13)11-21(10-9-16(19)20)15-7-5-14(18)6-8-15;/h1-8H,9-11H2,(H3,19,20);1H
InChIKeyYARIBBCKVSCZEJ-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.75
Rot. Bonds6

About 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride

3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride (PubChem CID 44523237) has the molecular formula C16H18Cl3N3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride.

Molecular Properties

Compound Name3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride
PubChem CID44523237
Molecular FormulaC16H18Cl3N3
Molecular Weight358.70 g/mol
Exact Mass357.06
IUPAC Name3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3.ClH/c17-13-3-1-12(2-4-13)11-21(10-9-16(19)20)15-7-5-14(18)6-8-15;/h1-8H,9-11H2,(H3,19,20);1H
InChIKeyYARIBBCKVSCZEJ-UHFFFAOYSA-N
XLogP4.75
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride?
The IUPAC name of 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride (CID 44523237) is 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride.
What is the SMILES notation for 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride?
The canonical SMILES for 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCN(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride?
The InChIKey is YARIBBCKVSCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3.ClH/c17-13-3-1-12(2-4-13)11-21(10-9-16(19)20)15-7-5-14(18)6-8-15;/h1-8H,9-11H2,(H3,19,20);1H.
What are the key properties of 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride?
3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride has a molecular weight of 358.70 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propanimidamide;hydrochloride is sourced from PubChem (CID 44523237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).