2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide

C14H11BrF2N2O — CID 43347758

IUPAC2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-11-5-9(16)6-12(17)13(11)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyQKLZSRFWGUSCNS-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.44
Rot. Bonds4

About 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide

2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide (PubChem CID 43347758) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
PubChem CID43347758
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-11-5-9(16)6-12(17)13(11)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyQKLZSRFWGUSCNS-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-[(4-bromo-2,5-difluoroanilino)methyl]benzoic acid
CID 107613444
methyl 2-[(2-chloro-4,6-difluoroanilino)methyl]benzoate
CID 83074169
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107600744
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide?
The IUPAC name of 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide (CID 43347758) is 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide?
The canonical SMILES for 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide is NC(=O)c1ccccc1CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide?
The InChIKey is QKLZSRFWGUSCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c15-11-5-9(16)6-12(17)13(11)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide?
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide has a molecular weight of 341.16 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide is sourced from PubChem (CID 43347758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).