N-(2-aminoethyl)-3-chlorobenzamide

C9H11ClN2O — CID 10726651

IUPACN-(2-aminoethyl)-3-chlorobenzamide
SMILESNCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyJNILSNGFSINJSU-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.03
Rot. Bonds3

About N-(2-aminoethyl)-3-chlorobenzamide

N-(2-aminoethyl)-3-chlorobenzamide (PubChem CID 10726651) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chlorobenzamide
PubChem CID10726651
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-(2-aminoethyl)-3-chlorobenzamide
SMILESNCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyJNILSNGFSINJSU-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chlorobenzamide?
The IUPAC name of N-(2-aminoethyl)-3-chlorobenzamide (CID 10726651) is N-(2-aminoethyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-chlorobenzamide is NCCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-3-chlorobenzamide?
The InChIKey is JNILSNGFSINJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-3-chlorobenzamide?
N-(2-aminoethyl)-3-chlorobenzamide has a molecular weight of 198.65 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chlorobenzamide is sourced from PubChem (CID 10726651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).