4-bromo-2-(fluoromethyl)benzamide

C8H7BrFNO — CID 91008252

IUPAC4-bromo-2-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(Br)cc1CF
InChIInChI=1S/C8H7BrFNO/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2,(H2,11,12)
InChIKeyYWDDPTIYJPARNI-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.02
Rot. Bonds2

About 4-bromo-2-(fluoromethyl)benzamide

4-bromo-2-(fluoromethyl)benzamide (PubChem CID 91008252) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(fluoromethyl)benzamide
PubChem CID91008252
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name4-bromo-2-(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(Br)cc1CF
InChIInChI=1S/C8H7BrFNO/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2,(H2,11,12)
InChIKeyYWDDPTIYJPARNI-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(fluoromethyl)benzohydrazide
CID 145171796
2,3,4-tris(fluoromethyl)benzamide
CID 91059826
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
CID 68508127
1-bromo-3-[4-bromo-2-(fluoromethyl)phenyl]propan-2-one
CID 134616727
4-bromo-2-(iodomethyl)benzoyl iodide
CID 139307710
5-bromo-2-carbamoylbenzenesulfinic acid
CID 129046862
3-[5-bromo-2-(fluoromethyl)phenyl]propanoic acid
CID 134622221
2-amino-4,5-bis(fluoromethyl)benzamide
CID 90872088
4-bromo-2-methylsulfanylbenzamide
CID 154647138
1-bromo-1-[4-bromo-2-(fluoromethyl)phenyl]propan-2-one
CID 130864251
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(fluoromethyl)benzamide?
The IUPAC name of 4-bromo-2-(fluoromethyl)benzamide (CID 91008252) is 4-bromo-2-(fluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-2-(fluoromethyl)benzamide?
The canonical SMILES for 4-bromo-2-(fluoromethyl)benzamide is NC(=O)c1ccc(Br)cc1CF.
What is the InChIKey of 4-bromo-2-(fluoromethyl)benzamide?
The InChIKey is YWDDPTIYJPARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3H,4H2,(H2,11,12).
What are the key properties of 4-bromo-2-(fluoromethyl)benzamide?
4-bromo-2-(fluoromethyl)benzamide has a molecular weight of 232.05 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethyl)benzamide is sourced from PubChem (CID 91008252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).