N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide

C19H25FN2O3 — CID 46984462

IUPACN'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
SMILESC=CCC(O)(CC=C)CNC(=O)CCC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C19H25FN2O3/c1-4-10-19(25,11-5-2)13-21-17(23)8-9-18(24)22-16-12-14(3)6-7-15(16)20/h4-7,12,25H,1-2,8-11,13H2,3H3,(H,21,23)(H,22,24)
InChIKeyNSFLJMAQWZASOZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.85
Rot. Bonds10

About N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide

N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide (PubChem CID 46984462) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
PubChem CID46984462
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
SMILESC=CCC(O)(CC=C)CNC(=O)CCC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C19H25FN2O3/c1-4-10-19(25,11-5-2)13-21-17(23)8-9-18(24)22-16-12-14(3)6-7-15(16)20/h4-7,12,25H,1-2,8-11,13H2,3H3,(H,21,23)(H,22,24)
InChIKeyNSFLJMAQWZASOZ-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
CID 46995000
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N-(2-fluoro-5-methylphenyl)-N'-prop-2-enyl-N'-prop-2-ynylbutanediamide
CID 46998503
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36805569
1-(2-fluoro-5-methylphenyl)-3-prop-2-enylthiourea
CID 8624786
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide (CID 46984462) is N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide is C=CCC(O)(CC=C)CNC(=O)CCC(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide?
The InChIKey is NSFLJMAQWZASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-4-10-19(25,11-5-2)13-21-17(23)8-9-18(24)22-16-12-14(3)6-7-15(16)20/h4-7,12,25H,1-2,8-11,13H2,3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide?
N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide has a molecular weight of 348.42 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide is sourced from PubChem (CID 46984462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).