N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide

C27H25F4NO2 — CID 175747505

IUPACN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
SMILESCc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33)
InChIKeyDBJNTQOGCUTWER-UHFFFAOYSA-N
MW471.49 g/mol
LogP7.21
Rot. Bonds7

About N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide

N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide (PubChem CID 175747505) has the molecular formula C27H25F4NO2 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
PubChem CID175747505
Molecular FormulaC27H25F4NO2
Molecular Weight471.49 g/mol
Exact Mass471.18
IUPAC NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
SMILESCc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33)
InChIKeyDBJNTQOGCUTWER-UHFFFAOYSA-N
XLogP7.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167140918
cis-(1R,2S)-2-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 155451534
cis-(1R,2S)-2-[3-[(4-hexoxy-2,6-dimethylbenzoyl)amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 155748127
3-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 155451518
cis-(1R,2S)-2-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-methylphenyl]cyclopropane-1-carboxylic acid
CID 155451798
cis-(1R,2S)-2-[3-[[2,6-dimethyl-4-(3-phenylpropyl)benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 155451853
1-[3-[[2-ethyl-6-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 25192306
N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1-(3-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 167221493
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
2-[1-[3-[[2-ethyl-6-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
CID 150384691
4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide
CID 150187165
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 155451593

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide (CID 175747505) is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The canonical SMILES for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide is Cc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F.
What is the InChIKey of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The InChIKey is DBJNTQOGCUTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33).
What are the key properties of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide has a molecular weight of 471.49 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide is sourced from PubChem (CID 175747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).