N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide

C18H15F2N3O2 — CID 66561557

IUPACN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H15F2N3O2/c19-18(20)8-13(9-21)23(11-18)16(24)10-22-17(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyYJNMDFARAFJSEZ-ZDUSSCGKSA-N
MW343.33 g/mol
LogP2.33
Rot. Bonds3

About N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 66561557) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID66561557
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H15F2N3O2/c19-18(20)8-13(9-21)23(11-18)16(24)10-22-17(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyYJNMDFARAFJSEZ-ZDUSSCGKSA-N
XLogP2.33
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide (CID 66561557) is N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide is N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is YJNMDFARAFJSEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-18(20)8-13(9-21)23(11-18)16(24)10-22-17(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8,10-11H2,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 66561557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).