N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide

C15H8ClF6NO2 — CID 2740405

IUPACN-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6NO2/c16-10-4-5-11(12(7-10)25-15(20,21)22)23-13(24)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,23,24)
InChIKeyGOPAJWSTMQCMOT-UHFFFAOYSA-N
MW383.68 g/mol
LogP5.51
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 2740405) has the molecular formula C15H8ClF6NO2 and a molecular weight of 383.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID2740405
Molecular FormulaC15H8ClF6NO2
Molecular Weight383.68 g/mol
Exact Mass383.01
IUPAC NameN-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6NO2/c16-10-4-5-11(12(7-10)25-15(20,21)22)23-13(24)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,23,24)
InChIKeyGOPAJWSTMQCMOT-UHFFFAOYSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 2741510
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 2740405) is N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GOPAJWSTMQCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO2/c16-10-4-5-11(12(7-10)25-15(20,21)22)23-13(24)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 383.68 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2740405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).