N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C20H23FN2O3 — CID 108964406

IUPACN-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,19(25)23-16-8-5-7-15(21)13-16)18(24)22-11-10-14-6-4-9-17(12-14)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDQKAYACKMUBKJZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.16
Rot. Bonds7

About N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964406) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964406
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,19(25)23-16-8-5-7-15(21)13-16)18(24)22-11-10-14-6-4-9-17(12-14)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDQKAYACKMUBKJZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.16
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

N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964399
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108964178
N-(3-acetylphenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964225
N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
2-carbamothioyl-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107854485

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964406) is N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is DQKAYACKMUBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,19(25)23-16-8-5-7-15(21)13-16)18(24)22-11-10-14-6-4-9-17(12-14)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 358.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).