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

C15H14BrFN2O — CID 42070161

IUPAC2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-10-5-6-14(13(16)7-10)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyFPECWIGACHPPDQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.95
Rot. Bonds4

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

2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 42070161) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID42070161
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-10-5-6-14(13(16)7-10)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyFPECWIGACHPPDQ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 81271498
N-(2-bromo-4-methylphenyl)-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108969955
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 61061796

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide (CID 42070161) is 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide is Cc1ccc(NCC(=O)Nc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is FPECWIGACHPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10-5-6-14(13(16)7-10)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide?
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42070161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).