4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride

C12H18Cl2N2O — CID 119709087

IUPAC4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)CNC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-12(2,3)7-15-11(16)9-5-4-8(14)6-10(9)13;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyFVEBQTRBCXQMLF-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.12
Rot. Bonds2

About 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride

4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride (PubChem CID 119709087) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
PubChem CID119709087
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)CNC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-12(2,3)7-15-11(16)9-5-4-8(14)6-10(9)13;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyFVEBQTRBCXQMLF-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.12
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

5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride (CID 119709087) is 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride is CC(C)(C)CNC(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride?
The InChIKey is FVEBQTRBCXQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-12(2,3)7-15-11(16)9-5-4-8(14)6-10(9)13;/h4-6H,7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride?
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 3.12, 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-(2,2-dimethylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119709087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).