4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide

C18H18F3N3O4 — CID 55794854

IUPAC4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1
InChIInChI=1S/C18H18F3N3O4/c1-28-13-6-4-11(5-7-13)16(26)22-8-2-3-15(25)24-14-9-12(18(19,20)21)10-23-17(14)27/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyXJGFIUVGVVGELG-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.55
Rot. Bonds7

About 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide

4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide (PubChem CID 55794854) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
PubChem CID55794854
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC Name4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
SMILESCOc1ccc(C(=O)NCCCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1
InChIInChI=1S/C18H18F3N3O4/c1-28-13-6-4-11(5-7-13)16(26)22-8-2-3-15(25)24-14-9-12(18(19,20)21)10-23-17(14)27/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyXJGFIUVGVVGELG-UHFFFAOYSA-N
XLogP2.55
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
CID 55794760
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
N-[4-oxo-4-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]butyl]thiophene-3-carboxamide
CID 26725781
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide (CID 55794854) is 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide is COc1ccc(C(=O)NCCCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide?
The InChIKey is XJGFIUVGVVGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c1-28-13-6-4-11(5-7-13)16(26)22-8-2-3-15(25)24-14-9-12(18(19,20)21)10-23-17(14)27/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide?
4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide has a molecular weight of 397.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide is sourced from PubChem (CID 55794854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).