3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide

C16H14BrF2NO — CID 106544675

IUPAC3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
SMILESCc1cc(F)ccc1CCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10-9-12(18)6-5-11(10)7-8-20-16(21)13-3-2-4-14(17)15(13)19/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyTYMRCLMAXDIYHF-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide

3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide (PubChem CID 106544675) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
PubChem CID106544675
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
SMILESCc1cc(F)ccc1CCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-10-9-12(18)6-5-11(10)7-8-20-16(21)13-3-2-4-14(17)15(13)19/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyTYMRCLMAXDIYHF-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245489
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide (CID 106544675) is 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide is Cc1cc(F)ccc1CCNC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide?
The InChIKey is TYMRCLMAXDIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-10-9-12(18)6-5-11(10)7-8-20-16(21)13-3-2-4-14(17)15(13)19/h2-6,9H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide?
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide has a molecular weight of 354.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 106544675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).