2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide

C24H19F4NO4 — CID 89092678

IUPAC2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2ccc(OC)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)cc1C=O
InChIInChI=1S/C24H19F4NO4/c1-32-21-7-3-14(15-4-8-22(33-2)17(10-15)13-30)9-16(21)12-29-23(31)19-6-5-18(11-20(19)25)24(26,27)28/h3-11,13H,12H2,1-2H3,(H,29,31)
InChIKeyVODDLODXKZDHDP-UHFFFAOYSA-N
MW461.41 g/mol
LogP5.27
Rot. Bonds7

About 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide

2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 89092678) has the molecular formula C24H19F4NO4 and a molecular weight of 461.41 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID89092678
Molecular FormulaC24H19F4NO4
Molecular Weight461.41 g/mol
Exact Mass461.13
IUPAC Name2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2ccc(OC)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)cc1C=O
InChIInChI=1S/C24H19F4NO4/c1-32-21-7-3-14(15-4-8-22(33-2)17(10-15)13-30)9-16(21)12-29-23(31)19-6-5-18(11-20(19)25)24(26,27)28/h3-11,13H,12H2,1-2H3,(H,29,31)
InChIKeyVODDLODXKZDHDP-UHFFFAOYSA-N
XLogP5.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]-4-methylbenzoic acid
CID 59218976
2-[[3-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl]butanoic acid
CID 59218928
5-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-2-methylbenzoic acid
CID 46880012
5-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]furan-2-carboxylic acid
CID 46879903
5-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
CID 52941520
2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092722
N-[[2-ethoxy-5-(3-formylphenyl)-3-pyridinyl]methyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 89092657
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
CID 20777453
2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
CID 59219274
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 146150657

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide (CID 89092678) is 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2ccc(OC)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)cc1C=O.
What is the InChIKey of 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VODDLODXKZDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO4/c1-32-21-7-3-14(15-4-8-22(33-2)17(10-15)13-30)9-16(21)12-29-23(31)19-6-5-18(11-20(19)25)24(26,27)28/h3-11,13H,12H2,1-2H3,(H,29,31).
What are the key properties of 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 461.41 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 89092678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).