4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide

C16H16Cl2N2O — CID 43232702

IUPAC4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(13-6-7-14(17)15(18)8-13)20-9-11-2-4-12(5-3-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyNMZGDAGBEYLRLH-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.94
Rot. Bonds5

About 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide

4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide (PubChem CID 43232702) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide
PubChem CID43232702
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(13-6-7-14(17)15(18)8-13)20-9-11-2-4-12(5-3-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyNMZGDAGBEYLRLH-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide (CID 43232702) is 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide is CC(NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide?
The InChIKey is NMZGDAGBEYLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(13-6-7-14(17)15(18)8-13)20-9-11-2-4-12(5-3-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21).
What are the key properties of 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide?
4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dichlorophenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43232702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).