2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide

C16H16BrFN2O — CID 114831900

IUPAC2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C16H16BrFN2O/c1-16(15(19)21,10-11-6-2-4-8-13(11)18)20-14-9-5-3-7-12(14)17/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyMNARZZKWNUFDIB-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.49
Rot. Bonds5

About 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide

2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 114831900) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID114831900
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C16H16BrFN2O/c1-16(15(19)21,10-11-6-2-4-8-13(11)18)20-14-9-5-3-7-12(14)17/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyMNARZZKWNUFDIB-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535475
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
2-(tert-butylamino)-1-(2-fluorophenyl)-2,4,4-trimethylpentan-3-one
CID 71122525
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide (CID 114831900) is 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide is CC(Cc1ccccc1F)(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is MNARZZKWNUFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-16(15(19)21,10-11-6-2-4-8-13(11)18)20-14-9-5-3-7-12(14)17/h2-9,20H,10H2,1H3,(H2,19,21).
What are the key properties of 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide?
2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 351.22 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114831900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).