N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride

C11H16BrClN2O — CID 120507815

IUPACN-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N[C@@H](C)CN)cc1Br.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-3-4-9(5-10(7)12)11(15)14-8(2)6-13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyYTCHQHMXMOZRTK-QRPNPIFTSA-N
MW307.62 g/mol
LogP2.26
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride (PubChem CID 120507815) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
PubChem CID120507815
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N[C@@H](C)CN)cc1Br.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c1-7-3-4-9(5-10(7)12)11(15)14-8(2)6-13;/h3-5,8H,6,13H2,1-2H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyYTCHQHMXMOZRTK-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

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
CID 171390408
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
CID 120509165
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride (CID 120507815) is N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)N[C@@H](C)CN)cc1Br.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride?
The InChIKey is YTCHQHMXMOZRTK-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c1-7-3-4-9(5-10(7)12)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]-3-bromo-4-methylbenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-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]-3-bromo-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120507815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).