N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide

C16H9Cl2F6NO — CID 633289

IUPACN-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9Cl2F6NO/c17-12-5-10(16(22,23)24)6-13(18)11(12)7-25-14(26)8-1-3-9(4-2-8)15(19,20)21/h1-6H,7H2,(H,25,26)
InChIKeyKMSBPHZSSBLVCK-UHFFFAOYSA-N
MW416.15 g/mol
LogP5.96
Rot. Bonds3

About N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide

N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 633289) has the molecular formula C16H9Cl2F6NO and a molecular weight of 416.15 g/mol. Its IUPAC name is N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID633289
Molecular FormulaC16H9Cl2F6NO
Molecular Weight416.15 g/mol
Exact Mass415.00
IUPAC NameN-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9Cl2F6NO/c17-12-5-10(16(22,23)24)6-13(18)11(12)7-25-14(26)8-1-3-9(4-2-8)15(19,20)21/h1-6H,7H2,(H,25,26)
InChIKeyKMSBPHZSSBLVCK-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.15
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-N-phenethyl-benzamide
CID 692233
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide derivative 8
CID 118607347
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
2,4-dichloro-N-propylbenzamide
CID 221797
3-chloro-N-(2-phenylethyl)benzamide
CID 835434
N-Butyl-3-chlorobenzamide
CID 3552304
2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
CID 2234904
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
CID 6470536
2,6-dichloro-N-(prop-2-en-1-yl)benzamide
CID 1769592

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide (CID 633289) is N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KMSBPHZSSBLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F6NO/c17-12-5-10(16(22,23)24)6-13(18)11(12)7-25-14(26)8-1-3-9(4-2-8)15(19,20)21/h1-6H,7H2,(H,25,26).
What are the key properties of N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 416.15 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 633289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).