N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride

C16H24BrClN2O — CID 119573653

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NC(C)(CN)C2CC2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-9-12(3-7-14(11)17)4-8-15(20)19-16(2,10-18)13-5-6-13;/h3,7,9,13H,4-6,8,10,18H2,1-2H3,(H,19,20);1H
InChIKeyVBCOUGIZGBQNGE-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.36
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride (PubChem CID 119573653) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
PubChem CID119573653
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(CCC(=O)NC(C)(CN)C2CC2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-9-12(3-7-14(11)17)4-8-15(20)19-16(2,10-18)13-5-6-13;/h3,7,9,13H,4-6,8,10,18H2,1-2H3,(H,19,20);1H
InChIKeyVBCOUGIZGBQNGE-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119575175
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide
CID 119575176
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119574022
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-[3-[(1-amino-2-cyclopropylpropan-2-yl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 119574328
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119575277

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride (CID 119573653) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride is Cc1cc(CCC(=O)NC(C)(CN)C2CC2)ccc1Br.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride?
The InChIKey is VBCOUGIZGBQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-11-9-12(3-7-14(11)17)4-8-15(20)19-16(2,10-18)13-5-6-13;/h3,7,9,13H,4-6,8,10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119573653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).