2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide

C17H17BrFN3O2 — CID 31768609

IUPAC2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2C)ccc1F
InChIInChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-13-4-5-14(19)16(8-13)21-11(2)23/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQPDNRZKPZWHSX-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.91
Rot. Bonds5

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

2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 31768609) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID31768609
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2C)ccc1F
InChIInChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-13-4-5-14(19)16(8-13)21-11(2)23/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQPDNRZKPZWHSX-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-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
CID 55860000
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide (CID 31768609) is 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide is CC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)cc2C)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is GQPDNRZKPZWHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-13-4-5-14(19)16(8-13)21-11(2)23/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)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-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 31768609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).