4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide

C25H22ClF3N2O4 — CID 4055433

IUPAC4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C25H22ClF3N2O4/c1-3-34-22-7-5-4-6-20(22)30-24(33)16-8-11-18(12-9-16)35-15(2)23(32)31-21-14-17(25(27,28)29)10-13-19(21)26/h4-15H,3H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyOFUQXICKYVCVDE-UHFFFAOYSA-N
MW506.91 g/mol
LogP6.42
Rot. Bonds8

About 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide

4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide (PubChem CID 4055433) has the molecular formula C25H22ClF3N2O4 and a molecular weight of 506.91 g/mol. Its IUPAC name is 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
PubChem CID4055433
Molecular FormulaC25H22ClF3N2O4
Molecular Weight506.91 g/mol
Exact Mass506.12
IUPAC Name4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C25H22ClF3N2O4/c1-3-34-22-7-5-4-6-20(22)30-24(33)16-8-11-18(12-9-16)35-15(2)23(32)31-21-14-17(25(27,28)29)10-13-19(21)26/h4-15H,3H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyOFUQXICKYVCVDE-UHFFFAOYSA-N
XLogP6.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.91
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 4055440
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 8012046
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide (CID 4055433) is 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide?
The InChIKey is OFUQXICKYVCVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N2O4/c1-3-34-22-7-5-4-6-20(22)30-24(33)16-8-11-18(12-9-16)35-15(2)23(32)31-21-14-17(25(27,28)29)10-13-19(21)26/h4-15H,3H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide?
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide has a molecular weight of 506.91 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 4055433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).