3,4-bis(fluoromethyl)benzamide

C9H9F2NO — CID 90892252

IUPAC3,4-bis(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(CF)c(CF)c1
InChIInChI=1S/C9H9F2NO/c10-4-7-2-1-6(9(12)13)3-8(7)5-11/h1-3H,4-5H2,(H2,12,13)
InChIKeyNSAYCSRWVGEVKH-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.72
Rot. Bonds3

About 3,4-bis(fluoromethyl)benzamide

3,4-bis(fluoromethyl)benzamide (PubChem CID 90892252) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3,4-bis(fluoromethyl)benzamide.

Molecular Properties

Compound Name3,4-bis(fluoromethyl)benzamide
PubChem CID90892252
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3,4-bis(fluoromethyl)benzamide
SMILESNC(=O)c1ccc(CF)c(CF)c1
InChIInChI=1S/C9H9F2NO/c10-4-7-2-1-6(9(12)13)3-8(7)5-11/h1-3H,4-5H2,(H2,12,13)
InChIKeyNSAYCSRWVGEVKH-UHFFFAOYSA-N
XLogP1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
3-amino-4-ethylbenzamide
CID 19977641
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 174701128
2,3,4-tris(fluoromethyl)benzamide
CID 91059826
2-amino-4,5-bis(fluoromethyl)benzamide
CID 90872088
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
3-ethyl-4-formylbenzamide
CID 123649446
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
3-[[bis(2-hydroxyethyl)amino]methyl]-4-fluorobenzamide
CID 62020933
3-amino-4-(fluoromethoxy)benzamide
CID 90933314
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(fluoromethyl)benzamide?
The IUPAC name of 3,4-bis(fluoromethyl)benzamide (CID 90892252) is 3,4-bis(fluoromethyl)benzamide.
What is the SMILES notation for 3,4-bis(fluoromethyl)benzamide?
The canonical SMILES for 3,4-bis(fluoromethyl)benzamide is NC(=O)c1ccc(CF)c(CF)c1.
What is the InChIKey of 3,4-bis(fluoromethyl)benzamide?
The InChIKey is NSAYCSRWVGEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-4-7-2-1-6(9(12)13)3-8(7)5-11/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 3,4-bis(fluoromethyl)benzamide?
3,4-bis(fluoromethyl)benzamide has a molecular weight of 185.17 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(fluoromethyl)benzamide is sourced from PubChem (CID 90892252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).