2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide

C22H21F6NO4 — CID 91730464

IUPAC2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
SMILESCCCCCCN(C(=O)c1cc(F)c(F)c(OC)c1F)C(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C22H21F6NO4/c1-4-5-6-7-8-29(21(30)11-9-13(23)17(27)19(32-2)15(11)25)22(31)12-10-14(24)18(28)20(33-3)16(12)26/h9-10H,4-8H2,1-3H3
InChIKeyVGSOKFCQIRBMIH-UHFFFAOYSA-N
MW477.40 g/mol
LogP5.40
Rot. Bonds9

About 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide

2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide (PubChem CID 91730464) has the molecular formula C22H21F6NO4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
PubChem CID91730464
Molecular FormulaC22H21F6NO4
Molecular Weight477.40 g/mol
Exact Mass477.14
IUPAC Name2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
SMILESCCCCCCN(C(=O)c1cc(F)c(F)c(OC)c1F)C(=O)c1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C22H21F6NO4/c1-4-5-6-7-8-29(21(30)11-9-13(23)17(27)19(32-2)15(11)25)22(31)12-10-14(24)18(28)20(33-3)16(12)26/h9-10H,4-8H2,1-3H3
InChIKeyVGSOKFCQIRBMIH-UHFFFAOYSA-N
XLogP5.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
CID 91730409
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorobenzoyl)-N-tetradecylbenzamide
CID 91731924
2,3,4,5,6-pentafluoro-N-hexyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzamide
CID 91732053
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
CID 153252588
N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
CID 90170601
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
4-hydroxybut-2-ynyl 2,4,5-trifluoro-3-methoxybenzoate
CID 87347665
2,3,4-trifluoro-N-heptyl-N-octylbenzamide
CID 533120

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide?
The IUPAC name of 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide (CID 91730464) is 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide is CCCCCCN(C(=O)c1cc(F)c(F)c(OC)c1F)C(=O)c1cc(F)c(F)c(OC)c1F.
What is the InChIKey of 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide?
The InChIKey is VGSOKFCQIRBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6NO4/c1-4-5-6-7-8-29(21(30)11-9-13(23)17(27)19(32-2)15(11)25)22(31)12-10-14(24)18(28)20(33-3)16(12)26/h9-10H,4-8H2,1-3H3.
What are the key properties of 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide?
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide has a molecular weight of 477.40 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide is sourced from PubChem (CID 91730464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).