N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide

C19H21FN2O3 — CID 108946382

IUPACN'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-25-17-4-2-3-14(11-17)9-10-21-18(23)12-19(24)22-13-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCNXSISXYUPLDQG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.20
Rot. Bonds8

About N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide

N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108946382) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108946382
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-25-17-4-2-3-14(11-17)9-10-21-18(23)12-19(24)22-13-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCNXSISXYUPLDQG-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111229007
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948640
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108946382) is N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide is COc1cccc(CCNC(=O)CC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is CNXSISXYUPLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-17-4-2-3-14(11-17)9-10-21-18(23)12-19(24)22-13-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 344.39 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108946382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).