2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide

C22H20ClFN2O3 — CID 126381244

IUPAC2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3/c1-28-21-12-15(13-25-19-5-3-2-4-18(19)23)6-11-20(21)29-14-22(27)26-17-9-7-16(24)8-10-17/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyCHVVYTLKOCPLGZ-UHFFFAOYSA-N
MW414.86 g/mol
LogP5.12
Rot. Bonds8

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

2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 126381244) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID126381244
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3/c1-28-21-12-15(13-25-19-5-3-2-4-18(19)23)6-11-20(21)29-14-22(27)26-17-9-7-16(24)8-10-17/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyCHVVYTLKOCPLGZ-UHFFFAOYSA-N
XLogP5.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.86
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide (CID 126381244) is 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is CHVVYTLKOCPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c1-28-21-12-15(13-25-19-5-3-2-4-18(19)23)6-11-20(21)29-14-22(27)26-17-9-7-16(24)8-10-17/h2-12,25H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 414.86 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126381244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).