N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride

C18H22BrClN2O — CID 119549666

IUPACN-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H21BrN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)17(22)21-12-11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyWTPYPPGTZOGTTG-UHFFFAOYSA-N
MW397.74 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119549666) has the molecular formula C18H22BrClN2O and a molecular weight of 397.74 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
PubChem CID119549666
Molecular FormulaC18H22BrClN2O
Molecular Weight397.74 g/mol
Exact Mass396.06
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H21BrN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)17(22)21-12-11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyWTPYPPGTZOGTTG-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
CID 119548327
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride (CID 119549666) is N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride is CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is WTPYPPGTZOGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)17(22)21-12-11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 397.74 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119549666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).