3-amino-2-ethylbenzamide;dihydrochloride

C9H14Cl2N2O — CID 174785201

IUPAC3-amino-2-ethylbenzamide;dihydrochloride
SMILESCCc1c(N)cccc1C(N)=O.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-2-6-7(9(11)12)4-3-5-8(6)10;;/h3-5H,2,10H2,1H3,(H2,11,12);2*1H
InChIKeySEILYSHXNPUQOI-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.77
Rot. Bonds2

About 3-amino-2-ethylbenzamide;dihydrochloride

3-amino-2-ethylbenzamide;dihydrochloride (PubChem CID 174785201) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-amino-2-ethylbenzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-ethylbenzamide;dihydrochloride
PubChem CID174785201
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name3-amino-2-ethylbenzamide;dihydrochloride
SMILESCCc1c(N)cccc1C(N)=O.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-2-6-7(9(11)12)4-3-5-8(6)10;;/h3-5H,2,10H2,1H3,(H2,11,12);2*1H
InChIKeySEILYSHXNPUQOI-UHFFFAOYSA-N
XLogP1.77
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
3-amino-2-ethylbenzoic acid
CID 18185344
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2-ethyl-3-pentoxybenzamide
CID 67228177
2-ethyl-3-pyrimidin-5-ylbenzamide
CID 166652738
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
3-amino-2-(phenoxymethyl)benzamide
CID 69266534
4-amino-2-ethyl-3-(trifluoromethyl)benzamide;hydrochloride
CID 174774947
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethylbenzamide;dihydrochloride?
The IUPAC name of 3-amino-2-ethylbenzamide;dihydrochloride (CID 174785201) is 3-amino-2-ethylbenzamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-ethylbenzamide;dihydrochloride?
The canonical SMILES for 3-amino-2-ethylbenzamide;dihydrochloride is CCc1c(N)cccc1C(N)=O.Cl.Cl.
What is the InChIKey of 3-amino-2-ethylbenzamide;dihydrochloride?
The InChIKey is SEILYSHXNPUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-2-6-7(9(11)12)4-3-5-8(6)10;;/h3-5H,2,10H2,1H3,(H2,11,12);2*1H.
What are the key properties of 3-amino-2-ethylbenzamide;dihydrochloride?
3-amino-2-ethylbenzamide;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethylbenzamide;dihydrochloride is sourced from PubChem (CID 174785201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).