3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride

C11H16BrClN2O — CID 119682559

IUPAC3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CC(C)N.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)14-11(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyDULAXWAPNHOEMI-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride

3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride (PubChem CID 119682559) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
PubChem CID119682559
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CC(C)N.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)14-11(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyDULAXWAPNHOEMI-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
CID 120983378
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide
CID 82124667
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
methyl 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842832
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(4-bromo-2-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 60850398
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
4-(4-bromo-2-methylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride (CID 119682559) is 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride?
The InChIKey is DULAXWAPNHOEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)14-11(15)6-8(2)13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride?
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119682559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).