N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide

C9H7BrF3NO — CID 130674064

IUPACN-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrF3NO/c1-9(12,13)8(15)14-7-4-5(11)2-3-6(7)10/h2-4H,1H3,(H,14,15)
InChIKeyNFRIMPIVPKBJDA-UHFFFAOYSA-N
MW282.06 g/mol
LogP3.18
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide

N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide (PubChem CID 130674064) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
PubChem CID130674064
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrF3NO/c1-9(12,13)8(15)14-7-4-5(11)2-3-6(7)10/h2-4H,1H3,(H,14,15)
InChIKeyNFRIMPIVPKBJDA-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 107625596
N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
CID 130987362
(2-bromo-5-fluorophenyl)urea
CID 99639427
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
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3-[(2-bromo-5-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107628841
1-(2-bromo-5-fluorophenyl)-2-tert-butylguanidine
CID 107638216
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide (CID 130674064) is N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide is CC(F)(F)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide?
The InChIKey is NFRIMPIVPKBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c1-9(12,13)8(15)14-7-4-5(11)2-3-6(7)10/h2-4H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide?
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide has a molecular weight of 282.06 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide is sourced from PubChem (CID 130674064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).