N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide

C13H18BrClN2O — CID 114024777

IUPACN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H18BrClN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyRZRIWLHJFMBAKW-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.21
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide

N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide (PubChem CID 114024777) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
PubChem CID114024777
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H18BrClN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyRZRIWLHJFMBAKW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide (CID 114024777) is N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide is CC(C)CC(CN)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide?
The InChIKey is RZRIWLHJFMBAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide?
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide has a molecular weight of 333.66 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 114024777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).