5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride

C18H22BrClN2O — CID 120630065

IUPAC5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)c1cccc(Br)c1.Cl
InChIInChI=1S/C18H21BrN2O.ClH/c1-12-7-8-15(20)10-16(12)17(22)21-11-18(2,3)13-5-4-6-14(19)9-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyKDHCLSOWMBDJSK-UHFFFAOYSA-N
MW397.74 g/mol
LogP4.47
Rot. Bonds4

About 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride

5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride (PubChem CID 120630065) has the molecular formula C18H22BrClN2O and a molecular weight of 397.74 g/mol. Its IUPAC name is 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
PubChem CID120630065
Molecular FormulaC18H22BrClN2O
Molecular Weight397.74 g/mol
Exact Mass396.06
IUPAC Name5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)c1cccc(Br)c1.Cl
InChIInChI=1S/C18H21BrN2O.ClH/c1-12-7-8-15(20)10-16(12)17(22)21-11-18(2,3)13-5-4-6-14(19)9-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyKDHCLSOWMBDJSK-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 54.47
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-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 60621665
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride (CID 120630065) is 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCC(C)(C)c1cccc(Br)c1.Cl.
What is the InChIKey of 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
The InChIKey is KDHCLSOWMBDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O.ClH/c1-12-7-8-15(20)10-16(12)17(22)21-11-18(2,3)13-5-4-6-14(19)9-13;/h4-10H,11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride has a molecular weight of 397.74 g/mol, XLogP of 4.47, 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-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).