N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide

C17H12F6N2O2 — CID 4842174

IUPACN-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F6N2O2/c1-9(26)24-13-2-4-14(5-3-13)25-15(27)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27)
InChIKeyVPGNFKIYGWRUCH-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.93
Rot. Bonds3

About N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide

N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 4842174) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID4842174
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC NameN-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H12F6N2O2/c1-9(26)24-13-2-4-14(5-3-13)25-15(27)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27)
InChIKeyVPGNFKIYGWRUCH-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
2-[[4-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetic acid
CID 45435057
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 11553181
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide (CID 4842174) is N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is VPGNFKIYGWRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c1-9(26)24-13-2-4-14(5-3-13)25-15(27)10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-8H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 390.28 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 4842174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).