N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide

C37H34F2N2O5 — CID 135354271

IUPACN-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(C(CCCNC(=O)c2ccccc2O)c2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C37H34F2N2O5/c1-3-45-35-22-36(43)41(2)23-30(35)29-20-25(15-17-33(29)46-34-18-16-26(38)21-31(34)39)27(24-10-5-4-6-11-24)13-9-19-40-37(44)28-12-7-8-14-32(28)42/h4-8,10-12,14-18,20-23,27,42H,3,9,13,19H2,1-2H3,(H,40,44)
InChIKeyLEFKXKPLVBKSBS-UHFFFAOYSA-N
MW624.68 g/mol
LogP7.57
Rot. Bonds12

About N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide

N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide (PubChem CID 135354271) has the molecular formula C37H34F2N2O5 and a molecular weight of 624.68 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide
PubChem CID135354271
Molecular FormulaC37H34F2N2O5
Molecular Weight624.68 g/mol
Exact Mass624.24
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(C(CCCNC(=O)c2ccccc2O)c2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C37H34F2N2O5/c1-3-45-35-22-36(43)41(2)23-30(35)29-20-25(15-17-33(29)46-34-18-16-26(38)21-31(34)39)27(24-10-5-4-6-11-24)13-9-19-40-37(44)28-12-7-8-14-32(28)42/h4-8,10-12,14-18,20-23,27,42H,3,9,13,19H2,1-2H3,(H,40,44)
InChIKeyLEFKXKPLVBKSBS-UHFFFAOYSA-N
XLogP7.57
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.68
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide
CID 135354281
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
CID 118116968
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide
CID 118116436
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide
CID 118117060
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
CID 90019267
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 118116640
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 118117023
4-[[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)anilino]methyl]benzonitrile
CID 118116399
N-[4-(4-fluorophenyl)-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butyl]-2-hydroxybenzamide
CID 135340814
5-[5-amino-2-(3,4-difluorophenoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
CID 90027213
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide (CID 135354271) is N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide is CCOc1cc(=O)n(C)cc1-c1cc(C(CCCNC(=O)c2ccccc2O)c2ccccc2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide?
The InChIKey is LEFKXKPLVBKSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F2N2O5/c1-3-45-35-22-36(43)41(2)23-30(35)29-20-25(15-17-33(29)46-34-18-16-26(38)21-31(34)39)27(24-10-5-4-6-11-24)13-9-19-40-37(44)28-12-7-8-14-32(28)42/h4-8,10-12,14-18,20-23,27,42H,3,9,13,19H2,1-2H3,(H,40,44).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide?
N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide has a molecular weight of 624.68 g/mol, XLogP of 7.57, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide is sourced from PubChem (CID 135354271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).