N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide

C22H14ClF6NO2 — CID 71508592

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H14ClF6NO2/c23-16-6-7-19(32-12-13-4-2-1-3-5-13)18(11-16)20(31)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h1-11H,12H2,(H,30,31)
InChIKeyAUVZNRCGQRPQTC-UHFFFAOYSA-N
MW473.80 g/mol
LogP7.21
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide (PubChem CID 71508592) has the molecular formula C22H14ClF6NO2 and a molecular weight of 473.80 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide
PubChem CID71508592
Molecular FormulaC22H14ClF6NO2
Molecular Weight473.80 g/mol
Exact Mass473.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H14ClF6NO2/c23-16-6-7-19(32-12-13-4-2-1-3-5-13)18(11-16)20(31)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h1-11H,12H2,(H,30,31)
InChIKeyAUVZNRCGQRPQTC-UHFFFAOYSA-N
XLogP7.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.80
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide (CID 71508592) is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide?
The InChIKey is AUVZNRCGQRPQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF6NO2/c23-16-6-7-19(32-12-13-4-2-1-3-5-13)18(11-16)20(31)30-17-9-14(21(24,25)26)8-15(10-17)22(27,28)29/h1-11H,12H2,(H,30,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-phenylmethoxybenzamide has a molecular weight of 473.80 g/mol, XLogP of 7.21, 5 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]-5-chloro-2-phenylmethoxybenzamide is sourced from PubChem (CID 71508592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).