N-(2-benzhydryl-4,5-difluorophenyl)acetamide

C21H17F2NO — CID 139205040

IUPACN-(2-benzhydryl-4,5-difluorophenyl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F2NO/c1-14(25)24-20-13-19(23)18(22)12-17(20)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,21H,1H3,(H,24,25)
InChIKeyFMMRRPMEOGGZTO-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.10
Rot. Bonds4

About N-(2-benzhydryl-4,5-difluorophenyl)acetamide

N-(2-benzhydryl-4,5-difluorophenyl)acetamide (PubChem CID 139205040) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(2-benzhydryl-4,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzhydryl-4,5-difluorophenyl)acetamide
PubChem CID139205040
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC NameN-(2-benzhydryl-4,5-difluorophenyl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F2NO/c1-14(25)24-20-13-19(23)18(22)12-17(20)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,21H,1H3,(H,24,25)
InChIKeyFMMRRPMEOGGZTO-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2,3,5-trifluoro-4-phenylphenyl)acetamide
CID 102132684
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
N-(2-fluoro-4-hydroxyphenyl)-2-phenylpropanamide
CID 104920662
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
N-(4-fluoro-2-methyl-5-phenylphenyl)acetamide
CID 70668820
N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
CID 78938578
N-(2-acetamido-4-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 111446363
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryl-4,5-difluorophenyl)acetamide?
The IUPAC name of N-(2-benzhydryl-4,5-difluorophenyl)acetamide (CID 139205040) is N-(2-benzhydryl-4,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-benzhydryl-4,5-difluorophenyl)acetamide?
The canonical SMILES for N-(2-benzhydryl-4,5-difluorophenyl)acetamide is CC(=O)Nc1cc(F)c(F)cc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryl-4,5-difluorophenyl)acetamide?
The InChIKey is FMMRRPMEOGGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c1-14(25)24-20-13-19(23)18(22)12-17(20)21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,21H,1H3,(H,24,25).
What are the key properties of N-(2-benzhydryl-4,5-difluorophenyl)acetamide?
N-(2-benzhydryl-4,5-difluorophenyl)acetamide has a molecular weight of 337.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryl-4,5-difluorophenyl)acetamide is sourced from PubChem (CID 139205040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).