4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide

C12H13BrF2N2O2 — CID 99699977

IUPAC4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CC(F)F)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrF2N2O2/c1-17(7-10(14)15)11(18)6-16-12(19)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,16,19)
InChIKeyAHKIRLWNMOCNAG-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.90
Rot. Bonds5

About 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 99699977) has the molecular formula C12H13BrF2N2O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID99699977
Molecular FormulaC12H13BrF2N2O2
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(CC(F)F)C(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrF2N2O2/c1-17(7-10(14)15)11(18)6-16-12(19)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,16,19)
InChIKeyAHKIRLWNMOCNAG-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
4-bromo-N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 9475595
2-[[2-[(4-bromobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 62627271
N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 100683029
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
4-ethoxy-N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 134058778
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 107479272
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide (CID 99699977) is 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide is CN(CC(F)F)C(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is AHKIRLWNMOCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O2/c1-17(7-10(14)15)11(18)6-16-12(19)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 335.15 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 99699977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).