N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide

C16H14ClF2NO — CID 105059916

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
SMILESCC(CCl)(NC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c1-16(10-17,11-6-3-2-4-7-11)20-15(21)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJFYLWSYPVDPZAQ-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.85
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide

N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide (PubChem CID 105059916) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
PubChem CID105059916
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
SMILESCC(CCl)(NC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c1-16(10-17,11-6-3-2-4-7-11)20-15(21)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJFYLWSYPVDPZAQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
N-(1-chloro-2-phenylpropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 105059726
N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-(1-chloro-2-phenylpropan-2-yl)-3-cyanobenzamide
CID 105059815
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016825
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide (CID 105059916) is N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide is CC(CCl)(NC(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide?
The InChIKey is JFYLWSYPVDPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-16(10-17,11-6-3-2-4-7-11)20-15(21)14-12(18)8-5-9-13(14)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide?
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide has a molecular weight of 309.74 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 105059916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).