N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide

C17H17FN2O4 — CID 22137941

IUPACN'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
SMILESCOc1cc(NC(=O)CC(N)=O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C17H17FN2O4/c1-23-15-8-13(20-17(22)9-16(19)21)5-6-14(15)24-10-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJDZGAJMLKPDQJJ-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.23
Rot. Bonds7

About N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide

N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide (PubChem CID 22137941) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide.

Molecular Properties

Compound NameN'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
PubChem CID22137941
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
SMILESCOc1cc(NC(=O)CC(N)=O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C17H17FN2O4/c1-23-15-8-13(20-17(22)9-16(19)21)5-6-14(15)24-10-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJDZGAJMLKPDQJJ-UHFFFAOYSA-N
XLogP2.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18229658
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434514
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide?
The IUPAC name of N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide (CID 22137941) is N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide.
What is the SMILES notation for N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide?
The canonical SMILES for N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide is COc1cc(NC(=O)CC(N)=O)ccc1OCc1cccc(F)c1.
What is the InChIKey of N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide?
The InChIKey is JDZGAJMLKPDQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-23-15-8-13(20-17(22)9-16(19)21)5-6-14(15)24-10-11-3-2-4-12(18)7-11/h2-8H,9-10H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide?
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide has a molecular weight of 332.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide is sourced from PubChem (CID 22137941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).