5-amino-N-benzyl-2-chloro-N-ethylbenzamide

C16H17ClN2O — CID 28722906

IUPAC5-amino-N-benzyl-2-chloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-10-13(18)8-9-15(14)17/h3-10H,2,11,18H2,1H3
InChIKeyAEJKTUVFAFYFBB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.58
Rot. Bonds4

About 5-amino-N-benzyl-2-chloro-N-ethylbenzamide

5-amino-N-benzyl-2-chloro-N-ethylbenzamide (PubChem CID 28722906) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-amino-N-benzyl-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-N-benzyl-2-chloro-N-ethylbenzamide
PubChem CID28722906
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-amino-N-benzyl-2-chloro-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-10-13(18)8-9-15(14)17/h3-10H,2,11,18H2,1H3
InChIKeyAEJKTUVFAFYFBB-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-benzyl-2-chloro-N-ethylbenzamide?
The IUPAC name of 5-amino-N-benzyl-2-chloro-N-ethylbenzamide (CID 28722906) is 5-amino-N-benzyl-2-chloro-N-ethylbenzamide.
What is the SMILES notation for 5-amino-N-benzyl-2-chloro-N-ethylbenzamide?
The canonical SMILES for 5-amino-N-benzyl-2-chloro-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-N-benzyl-2-chloro-N-ethylbenzamide?
The InChIKey is AEJKTUVFAFYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-10-13(18)8-9-15(14)17/h3-10H,2,11,18H2,1H3.
What are the key properties of 5-amino-N-benzyl-2-chloro-N-ethylbenzamide?
5-amino-N-benzyl-2-chloro-N-ethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 28722906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).