4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide

C19H19F3N2O4 — CID 60513577

IUPAC4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-27-15-6-2-13(3-7-15)18(26)24-11-10-23-17(25)12-28-16-8-4-14(5-9-16)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyCCWDQLXIRVNJFA-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.64
Rot. Bonds8

About 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide

4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide (PubChem CID 60513577) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
PubChem CID60513577
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-27-15-6-2-13(3-7-15)18(26)24-11-10-23-17(25)12-28-16-8-4-14(5-9-16)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyCCWDQLXIRVNJFA-UHFFFAOYSA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
CID 55917606
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide (CID 60513577) is 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide?
The InChIKey is CCWDQLXIRVNJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-27-15-6-2-13(3-7-15)18(26)24-11-10-23-17(25)12-28-16-8-4-14(5-9-16)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide?
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide has a molecular weight of 396.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 60513577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).