3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C27H27F3N2O3 — CID 26167860

IUPAC3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C27H27F3N2O3/c1-2-3-4-5-16-35-24-14-12-19(13-15-24)25(33)31-22-10-6-8-20(17-22)26(34)32-23-11-7-9-21(18-23)27(28,29)30/h6-15,17-18H,2-5,16H2,1H3,(H,31,33)(H,32,34)
InChIKeyNNSQVJJHMQRTBV-UHFFFAOYSA-N
MW484.52 g/mol
LogP7.17
Rot. Bonds10

About 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26167860) has the molecular formula C27H27F3N2O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26167860
Molecular FormulaC27H27F3N2O3
Molecular Weight484.52 g/mol
Exact Mass484.20
IUPAC Name3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C27H27F3N2O3/c1-2-3-4-5-16-35-24-14-12-19(13-15-24)25(33)31-22-10-6-8-20(17-22)26(34)32-23-11-7-9-21(18-23)27(28,29)30/h6-15,17-18H,2-5,16H2,1H3,(H,31,33)(H,32,34)
InChIKeyNNSQVJJHMQRTBV-UHFFFAOYSA-N
XLogP7.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878275
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844272
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887334
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-[diethoxyphosphoryl(difluoro)methyl]phenyl]-4-(4-octoxyphenyl)benzamide
CID 24824364
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26167860) is 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NNSQVJJHMQRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3/c1-2-3-4-5-16-35-24-14-12-19(13-15-24)25(33)31-22-10-6-8-20(17-22)26(34)32-23-11-7-9-21(18-23)27(28,29)30/h6-15,17-18H,2-5,16H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 484.52 g/mol, XLogP of 7.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26167860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).