N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide

C11H12BrF2NO — CID 103515044

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
SMILESCC(C)(NC(=O)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF2NO/c1-11(2,15-10(16)9(13)14)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,15,16)
InChIKeyRQSNRCOAGPKBHE-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.07
Rot. Bonds3

About N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide

N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide (PubChem CID 103515044) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
PubChem CID103515044
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
SMILESCC(C)(NC(=O)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF2NO/c1-11(2,15-10(16)9(13)14)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,15,16)
InChIKeyRQSNRCOAGPKBHE-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
CID 103732827
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 12760511
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide (CID 103515044) is N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide is CC(C)(NC(=O)C(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide?
The InChIKey is RQSNRCOAGPKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-11(2,15-10(16)9(13)14)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide?
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide has a molecular weight of 292.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 103515044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).