4-amino-2-chloro-N-ethylbenzamide;hydrochloride

C9H12Cl2N2O — CID 47000809

IUPAC4-amino-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C9H11ClN2O.ClH/c1-2-12-9(13)7-4-3-6(11)5-8(7)10;/h3-5H,2,11H2,1H3,(H,12,13);1H
InChIKeyKNYDHBOIDIGZCT-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.09
Rot. Bonds2

About 4-amino-2-chloro-N-ethylbenzamide;hydrochloride

4-amino-2-chloro-N-ethylbenzamide;hydrochloride (PubChem CID 47000809) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-amino-2-chloro-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-ethylbenzamide;hydrochloride
PubChem CID47000809
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4-amino-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C9H11ClN2O.ClH/c1-2-12-9(13)7-4-3-6(11)5-8(7)10;/h3-5H,2,11H2,1H3,(H,12,13);1H
InChIKeyKNYDHBOIDIGZCT-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-ethylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-ethylbenzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-ethylbenzamide;hydrochloride (CID 47000809) is 4-amino-2-chloro-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-ethylbenzamide;hydrochloride is CCNC(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-ethylbenzamide;hydrochloride?
The InChIKey is KNYDHBOIDIGZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c1-2-12-9(13)7-4-3-6(11)5-8(7)10;/h3-5H,2,11H2,1H3,(H,12,13);1H.
What are the key properties of 4-amino-2-chloro-N-ethylbenzamide;hydrochloride?
4-amino-2-chloro-N-ethylbenzamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 47000809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).