2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide

C16H15BrF2N2O2 — CID 9099494

IUPAC2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2OC(F)F)ccc1Br
InChIInChI=1S/C16H15BrF2N2O2/c1-10-8-11(6-7-12(10)17)20-9-15(22)21-13-4-2-3-5-14(13)23-16(18)19/h2-8,16,20H,9H2,1H3,(H,21,22)
InChIKeyUXJIDVHFGXSTDR-UHFFFAOYSA-N
MW385.21 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 9099494) has the molecular formula C16H15BrF2N2O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID9099494
Molecular FormulaC16H15BrF2N2O2
Molecular Weight385.21 g/mol
Exact Mass384.03
IUPAC Name2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2OC(F)F)ccc1Br
InChIInChI=1S/C16H15BrF2N2O2/c1-10-8-11(6-7-12(10)17)20-9-15(22)21-13-4-2-3-5-14(13)23-16(18)19/h2-8,16,20H,9H2,1H3,(H,21,22)
InChIKeyUXJIDVHFGXSTDR-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
CID 9103322

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 9099494) is 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide is Cc1cc(NCC(=O)Nc2ccccc2OC(F)F)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is UXJIDVHFGXSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N2O2/c1-10-8-11(6-7-12(10)17)20-9-15(22)21-13-4-2-3-5-14(13)23-16(18)19/h2-8,16,20H,9H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 385.21 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 9099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).