N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride

C11H16BrClN2O — CID 120507967

IUPACN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)11(15)14-8(2)6-13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyDKXQSTAHOIIAQW-QRPNPIFTSA-N
MW307.62 g/mol
LogP2.26
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride (PubChem CID 120507967) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
PubChem CID120507967
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)11(15)14-8(2)6-13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyDKXQSTAHOIIAQW-QRPNPIFTSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
4-bromo-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 122157400
(2S)-2-[(4-bromo-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 61136401
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-[(2S)-1-aminopropan-2-yl]-1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120508435
N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 130611242
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride (CID 120507967) is N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride is Cc1cc(Br)ccc1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride?
The InChIKey is DKXQSTAHOIIAQW-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-7-5-9(12)3-4-10(7)11(15)14-8(2)6-13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120507967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).