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

C19H24BrClN2O — CID 119548358

IUPACN-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
SMILESCCC(Cc1ccccc1Br)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23BrN2O.ClH/c1-2-15(13-16-5-3-4-6-18(16)20)19(23)22-12-11-14-7-9-17(21)10-8-14;/h3-10,15H,2,11-13,21H2,1H3,(H,22,23);1H
InChIKeyRNBCFRZALMCPIE-UHFFFAOYSA-N
MW411.77 g/mol
LogP4.38
Rot. Bonds7

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

N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride (PubChem CID 119548358) has the molecular formula C19H24BrClN2O and a molecular weight of 411.77 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
PubChem CID119548358
Molecular FormulaC19H24BrClN2O
Molecular Weight411.77 g/mol
Exact Mass410.08
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
SMILESCCC(Cc1ccccc1Br)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23BrN2O.ClH/c1-2-15(13-16-5-3-4-6-18(16)20)19(23)22-12-11-14-7-9-17(21)10-8-14;/h3-10,15H,2,11-13,21H2,1H3,(H,22,23);1H
InChIKeyRNBCFRZALMCPIE-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 54.38
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-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119996341
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119996342
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119515590
N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119614689
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride (CID 119548358) is N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride is CCC(Cc1ccccc1Br)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The InChIKey is RNBCFRZALMCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O.ClH/c1-2-15(13-16-5-3-4-6-18(16)20)19(23)22-12-11-14-7-9-17(21)10-8-14;/h3-10,15H,2,11-13,21H2,1H3,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride has a molecular weight of 411.77 g/mol, XLogP of 4.38, 7 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-[(2-bromophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).