N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride

C16H24BrClN2O — CID 119614689

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
SMILESCCC(Cc1ccccc1Br)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-2-11(9-13-5-3-4-6-14(13)17)16(20)19-15(10-18)12-7-8-12;/h3-6,11-12,15H,2,7-10,18H2,1H3,(H,19,20);1H
InChIKeyZBMSDNHJKUUGPB-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.29
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride (PubChem CID 119614689) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
PubChem CID119614689
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
SMILESCCC(Cc1ccccc1Br)C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-2-11(9-13-5-3-4-6-14(13)17)16(20)19-15(10-18)12-7-8-12;/h3-6,11-12,15H,2,7-10,18H2,1H3,(H,19,20);1H
InChIKeyZBMSDNHJKUUGPB-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119996341
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119996342
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119548358
N-(2-amino-1-cyclopropylethyl)-2-(2-ethylphenoxy)-2-phenylacetamide;hydrochloride
CID 119616467
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenoxy)butanamide
CID 119617903
N-(2-amino-1-cyclopropylethyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119615808
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
2-[(2-bromophenyl)methyl]-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119544329
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119613614

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride (CID 119614689) is N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride is CCC(Cc1ccccc1Br)C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
The InChIKey is ZBMSDNHJKUUGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-2-11(9-13-5-3-4-6-14(13)17)16(20)19-15(10-18)12-7-8-12;/h3-6,11-12,15H,2,7-10,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119614689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).