4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide

C17H16BrFN2O2 — CID 27760701

IUPAC4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H16BrFN2O2/c1-10-4-3-5-11(2)16(10)21-15(22)9-20-17(23)13-7-6-12(18)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNGZQFDFNLMMUPV-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide

4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 27760701) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID27760701
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H16BrFN2O2/c1-10-4-3-5-11(2)16(10)21-15(22)9-20-17(23)13-7-6-12(18)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNGZQFDFNLMMUPV-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 26927952
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide (CID 27760701) is 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is NGZQFDFNLMMUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-10-4-3-5-11(2)16(10)21-15(22)9-20-17(23)13-7-6-12(18)8-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide?
4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 379.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 27760701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).