N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide

C12H14BrClN2O2 — CID 113257326

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
SMILESCC(C)(CNC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C12H14BrClN2O2/c1-12(2,11(15)18)6-16-10(17)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyVOSAYFDAKQZOLB-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.34
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide (PubChem CID 113257326) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
PubChem CID113257326
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
SMILESCC(C)(CNC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C12H14BrClN2O2/c1-12(2,11(15)18)6-16-10(17)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyVOSAYFDAKQZOLB-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
2-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide (CID 113257326) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide is CC(C)(CNC(=O)c1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide?
The InChIKey is VOSAYFDAKQZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-12(2,11(15)18)6-16-10(17)8-4-3-7(14)5-9(8)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide has a molecular weight of 333.61 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 113257326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).