5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride

C18H22Cl2N2O — CID 120624182

IUPAC5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-12-4-9-15(20)10-16(12)17(22)21-11-18(2,3)13-5-7-14(19)8-6-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyGLGUOUXSKMVGJV-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.36
Rot. Bonds4

About 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride

5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride (PubChem CID 120624182) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
PubChem CID120624182
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-12-4-9-15(20)10-16(12)17(22)21-11-18(2,3)13-5-7-14(19)8-6-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyGLGUOUXSKMVGJV-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.36
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-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120630065
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride (CID 120624182) is 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The InChIKey is GLGUOUXSKMVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-12-4-9-15(20)10-16(12)17(22)21-11-18(2,3)13-5-7-14(19)8-6-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).