N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride

C13H20BrClN2O — CID 119498486

IUPACN-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(15)8-9-16-13(17)7-4-11-2-5-12(14)6-3-11;/h2-3,5-6,10H,4,7-9,15H2,1H3,(H,16,17);1H
InChIKeyQGWLQBMZZFJBKI-UHFFFAOYSA-N
MW335.67 g/mol
LogP2.66
Rot. Bonds6

About N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 119498486) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
PubChem CID119498486
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC NameN-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(15)8-9-16-13(17)7-4-11-2-5-12(14)6-3-11;/h2-3,5-6,10H,4,7-9,15H2,1H3,(H,16,17);1H
InChIKeyQGWLQBMZZFJBKI-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
N-(3-aminobutyl)-4-(4-bromophenyl)sulfanylbutanamide
CID 119496503
N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119499048
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride (CID 119498486) is N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride is CC(N)CCNC(=O)CCc1ccc(Br)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is QGWLQBMZZFJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-10(15)8-9-16-13(17)7-4-11-2-5-12(14)6-3-11;/h2-3,5-6,10H,4,7-9,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).