2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide

C22H21FN2O3 — CID 3917191

IUPAC2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-21-13-16(14-24-18-5-3-2-4-6-18)7-12-20(21)28-15-22(26)25-19-10-8-17(23)9-11-19/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyRKQZKOLILROSAV-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.46
Rot. Bonds8

About 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide

2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 3917191) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID3917191
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-21-13-16(14-24-18-5-3-2-4-6-18)7-12-20(21)28-15-22(26)25-19-10-8-17(23)9-11-19/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyRKQZKOLILROSAV-UHFFFAOYSA-N
XLogP4.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126257174
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (CID 3917191) is 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is RKQZKOLILROSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-21-13-16(14-24-18-5-3-2-4-6-18)7-12-20(21)28-15-22(26)25-19-10-8-17(23)9-11-19/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3917191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).