N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide

C24H16ClF6NO3 — CID 10369262

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C24H16ClF6NO3/c25-17-6-7-21(35-13-19(33)8-14-4-2-1-3-5-14)20(12-17)22(34)32-18-10-15(23(26,27)28)9-16(11-18)24(29,30)31/h1-7,9-12H,8,13H2,(H,32,34)
InChIKeyBLNBHNNMOYERKE-UHFFFAOYSA-N
MW515.84 g/mol
LogP6.82
Rot. Bonds7

About N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide (PubChem CID 10369262) has the molecular formula C24H16ClF6NO3 and a molecular weight of 515.84 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
PubChem CID10369262
Molecular FormulaC24H16ClF6NO3
Molecular Weight515.84 g/mol
Exact Mass515.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C24H16ClF6NO3/c25-17-6-7-21(35-13-19(33)8-14-4-2-1-3-5-14)20(12-17)22(34)32-18-10-15(23(26,27)28)9-16(11-18)24(29,30)31/h1-7,9-12H,8,13H2,(H,32,34)
InChIKeyBLNBHNNMOYERKE-UHFFFAOYSA-N
XLogP6.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-2-dibenzylphosphoryloxybenzamide
CID 141224231
[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
CID 87535284
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
CID 175096861
[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] iodosulfanylmethyl 2-sulfanylethyl phosphate
CID 167058560
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082
5-chloro-2-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 72705145
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide (CID 10369262) is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide is O=C(COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide?
The InChIKey is BLNBHNNMOYERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF6NO3/c25-17-6-7-21(35-13-19(33)8-14-4-2-1-3-5-14)20(12-17)22(34)32-18-10-15(23(26,27)28)9-16(11-18)24(29,30)31/h1-7,9-12H,8,13H2,(H,32,34).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide has a molecular weight of 515.84 g/mol, XLogP of 6.82, 7 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]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide is sourced from PubChem (CID 10369262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).