2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide

C16H15BrFN3O2 — CID 31766622

IUPAC2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C16H15BrFN3O2/c1-10(22)20-15-8-13(6-7-14(15)18)19-9-16(23)21-12-4-2-11(17)3-5-12/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXBDSARSFXGKKHK-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide

2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide (PubChem CID 31766622) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
PubChem CID31766622
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C16H15BrFN3O2/c1-10(22)20-15-8-13(6-7-14(15)18)19-9-16(23)21-12-4-2-11(17)3-5-12/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXBDSARSFXGKKHK-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 31773664
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide (CID 31766622) is 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide is CC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is XBDSARSFXGKKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-10(22)20-15-8-13(6-7-14(15)18)19-9-16(23)21-12-4-2-11(17)3-5-12/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide?
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide has a molecular weight of 380.22 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 31766622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).