3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C18H18FN3O3 — CID 9441407

IUPAC3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-16-5-3-4-13(10-16)18(25)22(2)11-17(24)21-15-8-6-14(19)7-9-15/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMEQQQCUNKDKXEA-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.49
Rot. Bonds5

About 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9441407) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9441407
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-16-5-3-4-13(10-16)18(25)22(2)11-17(24)21-15-8-6-14(19)7-9-15/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMEQQQCUNKDKXEA-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 18112706
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
CID 47047686
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2545792
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 17452813

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 9441407) is 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is MEQQQCUNKDKXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12(23)20-16-5-3-4-13(10-16)18(25)22(2)11-17(24)21-15-8-6-14(19)7-9-15/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 343.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9441407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).