N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide

C19H21F2N3O4 — CID 176715129

IUPACN'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide
SMILESCOc1nc(CCCCNC(=O)CC(=O)Nc2ccc(F)c(O)c2)ccc1F
InChIInChI=1S/C19H21F2N3O4/c1-28-19-15(21)8-5-12(24-19)4-2-3-9-22-17(26)11-18(27)23-13-6-7-14(20)16(25)10-13/h5-8,10,25H,2-4,9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyMYUBVNQKTUIJKN-UHFFFAOYSA-N
MW393.39 g/mol
LogP2.54
Rot. Bonds9

About N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide

N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide (PubChem CID 176715129) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide.

Molecular Properties

Compound NameN'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide
PubChem CID176715129
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC NameN'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide
SMILESCOc1nc(CCCCNC(=O)CC(=O)Nc2ccc(F)c(O)c2)ccc1F
InChIInChI=1S/C19H21F2N3O4/c1-28-19-15(21)8-5-12(24-19)4-2-3-9-22-17(26)11-18(27)23-13-6-7-14(20)16(25)10-13/h5-8,10,25H,2-4,9,11H2,1H3,(H,22,26)(H,23,27)
InChIKeyMYUBVNQKTUIJKN-UHFFFAOYSA-N
XLogP2.54
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
CID 108951922
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
CID 108951290
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943891
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide?
The IUPAC name of N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide (CID 176715129) is N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide.
What is the SMILES notation for N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide?
The canonical SMILES for N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide is COc1nc(CCCCNC(=O)CC(=O)Nc2ccc(F)c(O)c2)ccc1F.
What is the InChIKey of N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide?
The InChIKey is MYUBVNQKTUIJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c1-28-19-15(21)8-5-12(24-19)4-2-3-9-22-17(26)11-18(27)23-13-6-7-14(20)16(25)10-13/h5-8,10,25H,2-4,9,11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide?
N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide has a molecular weight of 393.39 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-hydroxyphenyl)-N-[4-(5-fluoro-6-methoxy-2-pyridinyl)butyl]propanediamide is sourced from PubChem (CID 176715129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).