4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide

C15H13BrFNO — CID 113396747

IUPAC4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccccc2F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-8-11(6-7-13(10)16)15(19)18-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZPVHVGQRXPRHK-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.83
Rot. Bonds3

About 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide

4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 113396747) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID113396747
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccccc2F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-8-11(6-7-13(10)16)15(19)18-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZPVHVGQRXPRHK-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide (CID 113396747) is 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide is Cc1cc(C(=O)NCc2ccccc2F)ccc1Br.
What is the InChIKey of 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is QZPVHVGQRXPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-8-11(6-7-13(10)16)15(19)18-9-12-4-2-3-5-14(12)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide has a molecular weight of 322.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 113396747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).