4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide

C15H17FN2O — CID 134288313

IUPAC4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide
SMILESCC(CCNc1ccc2cc(F)ccc2c1)C(N)=O
InChIInChI=1S/C15H17FN2O/c1-10(15(17)19)6-7-18-14-5-3-11-8-13(16)4-2-12(11)9-14/h2-5,8-10,18H,6-7H2,1H3,(H2,17,19)
InChIKeyMJXNZQFDCNGGDC-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.90
Rot. Bonds5

About 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide

4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide (PubChem CID 134288313) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide.

Molecular Properties

Compound Name4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide
PubChem CID134288313
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide
SMILESCC(CCNc1ccc2cc(F)ccc2c1)C(N)=O
InChIInChI=1S/C15H17FN2O/c1-10(15(17)19)6-7-18-14-5-3-11-8-13(16)4-2-12(11)9-14/h2-5,8-10,18H,6-7H2,1H3,(H2,17,19)
InChIKeyMJXNZQFDCNGGDC-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide?
The IUPAC name of 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide (CID 134288313) is 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide.
What is the SMILES notation for 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide?
The canonical SMILES for 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide is CC(CCNc1ccc2cc(F)ccc2c1)C(N)=O.
What is the InChIKey of 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide?
The InChIKey is MJXNZQFDCNGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(15(17)19)6-7-18-14-5-3-11-8-13(16)4-2-12(11)9-14/h2-5,8-10,18H,6-7H2,1H3,(H2,17,19).
What are the key properties of 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide?
4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide has a molecular weight of 260.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoronaphthalen-2-yl)amino]-2-methylbutanamide is sourced from PubChem (CID 134288313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).