2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide

C18H20FN3O3 — CID 31766831

IUPAC2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C18H20FN3O3/c1-11-4-7-17(25-3)16(8-11)22-18(24)10-20-13-5-6-14(19)15(9-13)21-12(2)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHZZGFJUAQCYGAF-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.15
Rot. Bonds6

About 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 31766831) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID31766831
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C18H20FN3O3/c1-11-4-7-17(25-3)16(8-11)22-18(24)10-20-13-5-6-14(19)15(9-13)21-12(2)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHZZGFJUAQCYGAF-UHFFFAOYSA-N
XLogP3.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 31766831) is 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is HZZGFJUAQCYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-4-7-17(25-3)16(8-11)22-18(24)10-20-13-5-6-14(19)15(9-13)21-12(2)23/h4-9,20H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 31766831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).