N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide

C15H7Cl2F6NO — CID 134094337

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H7Cl2F6NO/c16-10-2-1-3-11(17)12(10)13(25)24-9-5-7(14(18,19)20)4-8(6-9)15(21,22)23/h1-6H,(H,24,25)
InChIKeyIFAHXDUMHVIGNW-UHFFFAOYSA-N
MW402.12 g/mol
LogP6.28
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide (PubChem CID 134094337) has the molecular formula C15H7Cl2F6NO and a molecular weight of 402.12 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
PubChem CID134094337
Molecular FormulaC15H7Cl2F6NO
Molecular Weight402.12 g/mol
Exact Mass400.98
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H7Cl2F6NO/c16-10-2-1-3-11(17)12(10)13(25)24-9-5-7(14(18,19)20)4-8(6-9)15(21,22)23/h1-6H,(H,24,25)
InChIKeyIFAHXDUMHVIGNW-UHFFFAOYSA-N
XLogP6.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.12
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
CID 2798658
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 139070486
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-6-fluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264584
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide
CID 71381239
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide (CID 134094337) is N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide?
The InChIKey is IFAHXDUMHVIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F6NO/c16-10-2-1-3-11(17)12(10)13(25)24-9-5-7(14(18,19)20)4-8(6-9)15(21,22)23/h1-6H,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide has a molecular weight of 402.12 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 134094337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).