4-[(2-bromo-5-fluoroanilino)methyl]benzamide

C14H12BrFN2O — CID 103750683

IUPAC4-[(2-bromo-5-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-12-6-5-11(16)7-13(12)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyQGIHNNWKFFQEIF-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.30
Rot. Bonds4

About 4-[(2-bromo-5-fluoroanilino)methyl]benzamide

4-[(2-bromo-5-fluoroanilino)methyl]benzamide (PubChem CID 103750683) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-bromo-5-fluoroanilino)methyl]benzamide
PubChem CID103750683
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-[(2-bromo-5-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-12-6-5-11(16)7-13(12)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyQGIHNNWKFFQEIF-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
CID 61466855
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
2-bromo-N-[(4-carbamothioylphenyl)methyl]-5-fluorobenzamide
CID 62309631
(2-bromo-5-fluorophenyl)urea
CID 99639427
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluoroanilino)methyl]benzamide?
The IUPAC name of 4-[(2-bromo-5-fluoroanilino)methyl]benzamide (CID 103750683) is 4-[(2-bromo-5-fluoroanilino)methyl]benzamide.
What is the SMILES notation for 4-[(2-bromo-5-fluoroanilino)methyl]benzamide?
The canonical SMILES for 4-[(2-bromo-5-fluoroanilino)methyl]benzamide is NC(=O)c1ccc(CNc2cc(F)ccc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-5-fluoroanilino)methyl]benzamide?
The InChIKey is QGIHNNWKFFQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-12-6-5-11(16)7-13(12)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 4-[(2-bromo-5-fluoroanilino)methyl]benzamide?
4-[(2-bromo-5-fluoroanilino)methyl]benzamide has a molecular weight of 323.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluoroanilino)methyl]benzamide is sourced from PubChem (CID 103750683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).