5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide

C16H17Cl2N3 — CID 62978649

IUPAC5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-10(11-3-5-12(17)6-4-11)21(2)15-8-7-13(18)9-14(15)16(19)20/h3-10H,1-2H3,(H3,19,20)
InChIKeyKNWWEGUSTWJAHN-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.47
Rot. Bonds4

About 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide

5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide (PubChem CID 62978649) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
PubChem CID62978649
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-10(11-3-5-12(17)6-4-11)21(2)15-8-7-13(18)9-14(15)16(19)20/h3-10H,1-2H3,(H3,19,20)
InChIKeyKNWWEGUSTWJAHN-UHFFFAOYSA-N
XLogP4.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.47
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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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930491
5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 62494273
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64594775
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
3-bromo-4-[1-(3-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 82787154
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide (CID 62978649) is 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
The InChIKey is KNWWEGUSTWJAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-10(11-3-5-12(17)6-4-11)21(2)15-8-7-13(18)9-14(15)16(19)20/h3-10H,1-2H3,(H3,19,20).
What are the key properties of 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide?
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide has a molecular weight of 322.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62978649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).