2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide

C16H16BrFN2O — CID 82956528

IUPAC2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
SMILESCc1ccccc1NC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10-5-3-4-6-14(10)20-16(2,15(19)21)12-9-11(17)7-8-13(12)18/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyJOAXXEUUYWDZEZ-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.71
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide

2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide (PubChem CID 82956528) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
PubChem CID82956528
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
SMILESCc1ccccc1NC(C)(C(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10-5-3-4-6-14(10)20-16(2,15(19)21)12-9-11(17)7-8-13(12)18/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyJOAXXEUUYWDZEZ-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939
2-(2,5-dichlorophenyl)-2-(2-methylanilino)propanamide
CID 60996311
2-(2-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996305
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
CID 60992627
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propanamide
CID 82953788
2-(4-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 82954183

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide (CID 82956528) is 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide is Cc1ccccc1NC(C)(C(N)=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide?
The InChIKey is JOAXXEUUYWDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10-5-3-4-6-14(10)20-16(2,15(19)21)12-9-11(17)7-8-13(12)18/h3-9,20H,1-2H3,(H2,19,21).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide?
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide has a molecular weight of 351.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide is sourced from PubChem (CID 82956528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).