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

C13H16BrClN2O2 — CID 103992187

IUPAC3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-13(2,12(19)16-3)7-17-11(18)8-5-4-6-9(14)10(8)15/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPZZFDPINNBKZNP-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.60
Rot. Bonds4

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

3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103992187) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103992187
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-13(2,12(19)16-3)7-17-11(18)8-5-4-6-9(14)10(8)15/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPZZFDPINNBKZNP-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 113363834
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide (CID 103992187) is 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)(C)CNC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is PZZFDPINNBKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-13(2,12(19)16-3)7-17-11(18)8-5-4-6-9(14)10(8)15/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide?
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 347.64 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103992187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).