4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide

C15H11BrF2N2O2 — CID 7930162

IUPAC4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF2N2O2/c16-10-3-1-9(2-4-10)15(22)19-8-14(21)20-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyIJQFOBQQTONEPX-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide

4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide (PubChem CID 7930162) has the molecular formula C15H11BrF2N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
PubChem CID7930162
Molecular FormulaC15H11BrF2N2O2
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC Name4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF2N2O2/c16-10-3-1-9(2-4-10)15(22)19-8-14(21)20-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyIJQFOBQQTONEPX-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539
4-bromo-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9402849
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930152
4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7930157
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide (CID 7930162) is 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is IJQFOBQQTONEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O2/c16-10-3-1-9(2-4-10)15(22)19-8-14(21)20-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H,19,22)(H,20,21).
What are the key properties of 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 369.17 g/mol, XLogP of 3.10, 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-(3,4-difluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7930162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).