N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide

C28H24F6N2O3 — CID 86623593

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)N2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C28H24F6N2O3/c29-27(30,31)19-14-20(28(32,33)34)16-21(15-19)35-25(37)22-10-7-11-23(26(38)36-12-5-2-6-13-36)24(22)39-17-18-8-3-1-4-9-18/h1,3-4,7-11,14-16H,2,5-6,12-13,17H2,(H,35,37)
InChIKeyPGMCVUXMHINSJL-UHFFFAOYSA-N
MW550.50 g/mol
LogP7.18
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide (PubChem CID 86623593) has the molecular formula C28H24F6N2O3 and a molecular weight of 550.50 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide
PubChem CID86623593
Molecular FormulaC28H24F6N2O3
Molecular Weight550.50 g/mol
Exact Mass550.17
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)N2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C28H24F6N2O3/c29-27(30,31)19-14-20(28(32,33)34)16-21(15-19)35-25(37)22-10-7-11-23(26(38)36-12-5-2-6-13-36)24(22)39-17-18-8-3-1-4-9-18/h1,3-4,7-11,14-16H,2,5-6,12-13,17H2,(H,35,37)
InChIKeyPGMCVUXMHINSJL-UHFFFAOYSA-N
XLogP7.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.50
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
2-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide
CID 6941836
N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 142276825
5,5-difluoro-5-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 146723962
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide (CID 86623593) is N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)N2CCCCC2)c1OCc1ccccc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is PGMCVUXMHINSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N2O3/c29-27(30,31)19-14-20(28(32,33)34)16-21(15-19)35-25(37)22-10-7-11-23(26(38)36-12-5-2-6-13-36)24(22)39-17-18-8-3-1-4-9-18/h1,3-4,7-11,14-16H,2,5-6,12-13,17H2,(H,35,37).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 550.50 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 86623593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).