N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide

C15H12BrF2NO — CID 82819010

IUPACN-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(CBr)cc2)c1F
InChIInChI=1S/C15H12BrF2NO/c1-9-2-7-12(17)13(14(9)18)15(20)19-11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyBPKVCMUNQJKROU-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.42
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide

N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82819010) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82819010
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(CBr)cc2)c1F
InChIInChI=1S/C15H12BrF2NO/c1-9-2-7-12(17)13(14(9)18)15(20)19-11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyBPKVCMUNQJKROU-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 82816091
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 82798846
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide (CID 82819010) is N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccc(CBr)cc2)c1F.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is BPKVCMUNQJKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9-2-7-12(17)13(14(9)18)15(20)19-11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide?
N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 340.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82819010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).