N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide

C13H18BrClN2O — CID 119522730

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(15)4-5-11(9)14/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18)
InChIKeySLQQXFBJUBAGQW-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.89
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide (PubChem CID 119522730) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
PubChem CID119522730
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(15)4-5-11(9)14/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18)
InChIKeySLQQXFBJUBAGQW-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119606815
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-(1-amino-2-methylpropan-2-yl)-3-(2-chloro-5-fluorophenyl)propanamide
CID 110833378
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide (CID 119522730) is N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide is CC(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The InChIKey is SLQQXFBJUBAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-13(2,8-16)17-12(18)6-3-9-7-10(15)4-5-11(9)14/h4-5,7H,3,6,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide has a molecular weight of 333.66 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide is sourced from PubChem (CID 119522730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).