2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide

C18H20FN3O2 — CID 60537701

IUPAC2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-12-3-8-16(22-13(2)23)9-17(12)20-11-18(24)21-10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUWTTXCSFUZROT-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.82
Rot. Bonds6

About 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 60537701) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID60537701
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-12-3-8-16(22-13(2)23)9-17(12)20-11-18(24)21-10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUWTTXCSFUZROT-UHFFFAOYSA-N
XLogP2.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 60537701) is 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)Nc1ccc(C)c(NCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is LUWTTXCSFUZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-3-8-16(22-13(2)23)9-17(12)20-11-18(24)21-10-14-4-6-15(19)7-5-14/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).