2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide

C13H20ClF2NO — CID 107491317

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)N(CCCl)CC(F)F
InChIInChI=1S/C13H20ClF2NO/c14-3-4-17(8-12(15)16)13(18)7-11-6-9-1-2-10(11)5-9/h9-12H,1-8H2
InChIKeyATWUQVLYKVONTF-UHFFFAOYSA-N
MW279.76 g/mol
LogP3.15
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide (PubChem CID 107491317) has the molecular formula C13H20ClF2NO and a molecular weight of 279.76 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide
PubChem CID107491317
Molecular FormulaC13H20ClF2NO
Molecular Weight279.76 g/mol
Exact Mass279.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)N(CCCl)CC(F)F
InChIInChI=1S/C13H20ClF2NO/c14-3-4-17(8-12(15)16)13(18)7-11-6-9-1-2-10(11)5-9/h9-12H,1-8H2
InChIKeyATWUQVLYKVONTF-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107488104
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866283
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chlorocyclohexyl)-N-methylacetamide
CID 102638147
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107491018
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311521
2-(2-bicyclo[2.2.1]heptanyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78781581

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide (CID 107491317) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide is O=C(CC1CC2CCC1C2)N(CCCl)CC(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide?
The InChIKey is ATWUQVLYKVONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClF2NO/c14-3-4-17(8-12(15)16)13(18)7-11-6-9-1-2-10(11)5-9/h9-12H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide has a molecular weight of 279.76 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 107491317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).