3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

C13H21Cl2N3O — CID 117067963

IUPAC3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(Cl)c(N)c1.Cl
InChIInChI=1S/C13H20ClN3O.ClH/c1-3-17(4-2)8-7-16-13(18)10-5-6-11(14)12(15)9-10;/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18);1H
InChIKeyRESSTRDXYIGGDL-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.42
Rot. Bonds6

About 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (PubChem CID 117067963) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
PubChem CID117067963
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(Cl)c(N)c1.Cl
InChIInChI=1S/C13H20ClN3O.ClH/c1-3-17(4-2)8-7-16-13(18)10-5-6-11(14)12(15)9-10;/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18);1H
InChIKeyRESSTRDXYIGGDL-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
CID 82546388
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (CID 117067963) is 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is CCN(CC)CCNC(=O)c1ccc(Cl)c(N)c1.Cl.
What is the InChIKey of 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is RESSTRDXYIGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O.ClH/c1-3-17(4-2)8-7-16-13(18)10-5-6-11(14)12(15)9-10;/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 306.24 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 117067963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).