3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride

C19H23ClN2O — CID 119758396

IUPAC3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)c2cccc(N)c2)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-19(2)11-10-17(15-8-3-4-9-16(15)19)21-18(22)13-6-5-7-14(20)12-13;/h3-9,12,17H,10-11,20H2,1-2H3,(H,21,22);1H
InChIKeyRGPZTQXRDSCPDC-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.23
Rot. Bonds2

About 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride

3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride (PubChem CID 119758396) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
PubChem CID119758396
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)c2cccc(N)c2)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-19(2)11-10-17(15-8-3-4-9-16(15)19)21-18(22)13-6-5-7-14(20)12-13;/h3-9,12,17H,10-11,20H2,1-2H3,(H,21,22);1H
InChIKeyRGPZTQXRDSCPDC-UHFFFAOYSA-N
XLogP4.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.23
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

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51128181
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide
CID 47472710
2-(cyclopropylmethylamino)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide;hydrochloride
CID 119758390
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 138999584
N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide
CID 94821670
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
3-amino-N-(1,4-dimethylcyclohexyl)benzamide
CID 119765803
5-[7-[[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 67985071
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
CID 52789544
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride (CID 119758396) is 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride is CC1(C)CCC(NC(=O)c2cccc(N)c2)c2ccccc21.Cl.
What is the InChIKey of 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride?
The InChIKey is RGPZTQXRDSCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-19(2)11-10-17(15-8-3-4-9-16(15)19)21-18(22)13-6-5-7-14(20)12-13;/h3-9,12,17H,10-11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride?
3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119758396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).