N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide

C17H12F8N2O — CID 2804203

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCN(C)c1c(F)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H12F8N2O/c1-27(2)14-12(18)3-8(4-13(14)19)15(28)26-11-6-9(16(20,21)22)5-10(7-11)17(23,24)25/h3-7H,1-2H3,(H,26,28)
InChIKeyQQEQDFUXOAFXPX-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.32
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide (PubChem CID 2804203) has the molecular formula C17H12F8N2O and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
PubChem CID2804203
Molecular FormulaC17H12F8N2O
Molecular Weight412.28 g/mol
Exact Mass412.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCN(C)c1c(F)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H12F8N2O/c1-27(2)14-12(18)3-8(4-13(14)19)15(28)26-11-6-9(16(20,21)22)5-10(7-11)17(23,24)25/h3-7H,1-2H3,(H,26,28)
InChIKeyQQEQDFUXOAFXPX-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 2806233
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
4-(dimethylamino)-3,5-difluorobenzoic acid
CID 63078254
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide (CID 2804203) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide is CN(C)c1c(F)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The InChIKey is QQEQDFUXOAFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F8N2O/c1-27(2)14-12(18)3-8(4-13(14)19)15(28)26-11-6-9(16(20,21)22)5-10(7-11)17(23,24)25/h3-7H,1-2H3,(H,26,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide has a molecular weight of 412.28 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 2804203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).