2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide

C13H18BrN3O2 — CID 106278672

IUPAC2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H18BrN3O2/c1-13(2,12(19)16-3)7-17-11(18)9-6-8(14)4-5-10(9)15/h4-6H,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyOWPFTMJKNLXINS-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide

2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106278672) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106278672
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H18BrN3O2/c1-13(2,12(19)16-3)7-17-11(18)9-6-8(14)4-5-10(9)15/h4-6H,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyOWPFTMJKNLXINS-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 113278377
3-(5-bromo-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 114167373
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide (CID 106278672) is 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)(C)CNC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is OWPFTMJKNLXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-13(2,12(19)16-3)7-17-11(18)9-6-8(14)4-5-10(9)15/h4-6H,7,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106278672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).