N-(2,2-difluoroethenyl)naphthalene-2-carboxamide

C13H9F2NO — CID 156790201

IUPACN-(2,2-difluoroethenyl)naphthalene-2-carboxamide
SMILESO=C(NC=C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H9F2NO/c14-12(15)8-16-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17)
InChIKeyMLASYWCNMKMZEM-UHFFFAOYSA-N
MW233.22 g/mol
LogP3.31
Rot. Bonds2

About N-(2,2-difluoroethenyl)naphthalene-2-carboxamide

N-(2,2-difluoroethenyl)naphthalene-2-carboxamide (PubChem CID 156790201) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(2,2-difluoroethenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethenyl)naphthalene-2-carboxamide
PubChem CID156790201
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC NameN-(2,2-difluoroethenyl)naphthalene-2-carboxamide
SMILESO=C(NC=C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H9F2NO/c14-12(15)8-16-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17)
InChIKeyMLASYWCNMKMZEM-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
N-[(E)-2-(2-methylphenyl)ethenyl]naphthalene-2-carboxamide
CID 71501497
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethenyl)naphthalene-2-carboxamide (CID 156790201) is N-(2,2-difluoroethenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethenyl)naphthalene-2-carboxamide is O=C(NC=C(F)F)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,2-difluoroethenyl)naphthalene-2-carboxamide?
The InChIKey is MLASYWCNMKMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-12(15)8-16-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17).
What are the key properties of N-(2,2-difluoroethenyl)naphthalene-2-carboxamide?
N-(2,2-difluoroethenyl)naphthalene-2-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 156790201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).