2-amino-2-(3-bromo-4-fluorophenyl)propanamide

C9H10BrFN2O — CID 62913339

IUPAC2-amino-2-(3-bromo-4-fluorophenyl)propanamide
SMILESCC(N)(C(N)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H10BrFN2O/c1-9(13,8(12)14)5-2-3-7(11)6(10)4-5/h2-4H,13H2,1H3,(H2,12,14)
InChIKeyIZXNSXMMLMOPAI-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-2-(3-bromo-4-fluorophenyl)propanamide

2-amino-2-(3-bromo-4-fluorophenyl)propanamide (PubChem CID 62913339) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-2-(3-bromo-4-fluorophenyl)propanamide
PubChem CID62913339
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name2-amino-2-(3-bromo-4-fluorophenyl)propanamide
SMILESCC(N)(C(N)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H10BrFN2O/c1-9(13,8(12)14)5-2-3-7(11)6(10)4-5/h2-4H,13H2,1H3,(H2,12,14)
InChIKeyIZXNSXMMLMOPAI-UHFFFAOYSA-N
XLogP1.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-[2-(3-bromo-4-fluorophenyl)propan-2-yl]propanedioate
CID 170948751
2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913529
methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
CID 105426665
1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol
CID 107140564
ethyl (3S)-3-(3-bromo-4-fluorophenyl)-3-hydroxybutanoate
CID 94893895
2-bromo-4-(2,3-dimethylbut-3-en-2-yl)-1-fluorobenzene
CID 89044661
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032
1-(3-bromo-4-fluorophenyl)-1,1-bis(4-fluorophenyl)propan-2-one
CID 59226930
(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
CID 68535967
2-[acetyl(methyl)amino]-2-(3-bromo-4-fluorophenyl)propanoic acid
CID 63705313
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
ethyl 4-(3-bromo-4-fluorophenyl)-4-hydroxypentanoate
CID 66321896

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-4-fluorophenyl)propanamide?
The IUPAC name of 2-amino-2-(3-bromo-4-fluorophenyl)propanamide (CID 62913339) is 2-amino-2-(3-bromo-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-amino-2-(3-bromo-4-fluorophenyl)propanamide?
The canonical SMILES for 2-amino-2-(3-bromo-4-fluorophenyl)propanamide is CC(N)(C(N)=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-amino-2-(3-bromo-4-fluorophenyl)propanamide?
The InChIKey is IZXNSXMMLMOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-9(13,8(12)14)5-2-3-7(11)6(10)4-5/h2-4H,13H2,1H3,(H2,12,14).
What are the key properties of 2-amino-2-(3-bromo-4-fluorophenyl)propanamide?
2-amino-2-(3-bromo-4-fluorophenyl)propanamide has a molecular weight of 261.09 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-4-fluorophenyl)propanamide is sourced from PubChem (CID 62913339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).