5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide

C16H18ClN3O — CID 62979796

IUPAC5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(17)8-11)20(2)15-7-6-13(18)9-14(15)16(19)21/h3-10H,18H2,1-2H3,(H2,19,21)
InChIKeyMZPRDVMKXJBYNC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.22
Rot. Bonds4

About 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide

5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide (PubChem CID 62979796) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
PubChem CID62979796
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
SMILESCC(c1cccc(Cl)c1)N(C)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(17)8-11)20(2)15-7-6-13(18)9-14(15)16(19)21/h3-10H,18H2,1-2H3,(H2,19,21)
InChIKeyMZPRDVMKXJBYNC-UHFFFAOYSA-N
XLogP3.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide?
The IUPAC name of 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide (CID 62979796) is 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide.
What is the SMILES notation for 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide?
The canonical SMILES for 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide is CC(c1cccc(Cl)c1)N(C)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide?
The InChIKey is MZPRDVMKXJBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(11-4-3-5-12(17)8-11)20(2)15-7-6-13(18)9-14(15)16(19)21/h3-10H,18H2,1-2H3,(H2,19,21).
What are the key properties of 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide?
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide is sourced from PubChem (CID 62979796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).