N-butan-2-yl-2,2-difluoro-2-phenylacetamide

C12H15F2NO — CID 164554338

IUPACN-butan-2-yl-2,2-difluoro-2-phenylacetamide
SMILESCCC(C)NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F2NO/c1-3-9(2)15-11(16)12(13,14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyIZRRHGSABVRPPB-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.69
Rot. Bonds4

About N-butan-2-yl-2,2-difluoro-2-phenylacetamide

N-butan-2-yl-2,2-difluoro-2-phenylacetamide (PubChem CID 164554338) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-butan-2-yl-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-difluoro-2-phenylacetamide
PubChem CID164554338
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-butan-2-yl-2,2-difluoro-2-phenylacetamide
SMILESCCC(C)NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F2NO/c1-3-9(2)15-11(16)12(13,14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyIZRRHGSABVRPPB-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163140442
N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-butan-2-yl-2,2-difluoro-2-phenylacetamide (CID 164554338) is N-butan-2-yl-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-butan-2-yl-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-butan-2-yl-2,2-difluoro-2-phenylacetamide is CCC(C)NC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of N-butan-2-yl-2,2-difluoro-2-phenylacetamide?
The InChIKey is IZRRHGSABVRPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-9(2)15-11(16)12(13,14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2,2-difluoro-2-phenylacetamide?
N-butan-2-yl-2,2-difluoro-2-phenylacetamide has a molecular weight of 227.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 164554338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).