3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide

C14H11Br2FN2O — CID 61466855

IUPAC3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNc2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2FN2O/c15-10-2-3-11(16)13(6-10)19-7-9-5-8(14(18)20)1-4-12(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyNEUUHJNTHLFLDO-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.06
Rot. Bonds4

About 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide

3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide (PubChem CID 61466855) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
PubChem CID61466855
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNc2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2FN2O/c15-10-2-3-11(16)13(6-10)19-7-9-5-8(14(18)20)1-4-12(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyNEUUHJNTHLFLDO-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dibromoanilino)methyl]-4-fluorobenzoic acid
CID 107452712
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
4-[(4-bromo-2-fluoroanilino)methyl]-3-nitrobenzamide
CID 33473873
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910
methyl 3-bromo-4-[(2,5-dibromoanilino)methyl]benzoate
CID 102766576
3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide
CID 126565883
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
3-[(2-bromo-4-fluoroanilino)methyl]-4-fluorobenzoic acid
CID 107452485

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide (CID 61466855) is 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CNc2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide?
The InChIKey is NEUUHJNTHLFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c15-10-2-3-11(16)13(6-10)19-7-9-5-8(14(18)20)1-4-12(9)17/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide?
3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide has a molecular weight of 402.06 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 61466855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).