2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide

C17H17BrFN3O2 — CID 34067793

IUPAC2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)cc2F)c1C
InChIInChI=1S/C17H17BrFN3O2/c1-10-14(4-3-5-15(10)21-11(2)23)20-9-17(24)22-16-7-6-12(18)8-13(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCODBULCJYBDAHX-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide

2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 34067793) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID34067793
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)cc2F)c1C
InChIInChI=1S/C17H17BrFN3O2/c1-10-14(4-3-5-15(10)21-11(2)23)20-9-17(24)22-16-7-6-12(18)8-13(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCODBULCJYBDAHX-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
N-(4-bromo-2-fluorophenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812607
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466905
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide (CID 34067793) is 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(Br)cc2F)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is CODBULCJYBDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-10-14(4-3-5-15(10)21-11(2)23)20-9-17(24)22-16-7-6-12(18)8-13(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 394.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 34067793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).