N-[(4-fluorophenyl)methyl]-3-methylbutanamide

C12H16FNO — CID 898433

IUPACN-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-9(2)7-12(15)14-8-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPOYRVVMMGTYAGA-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methylbutanamide

N-[(4-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 898433) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID898433
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-9(2)7-12(15)14-8-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPOYRVVMMGTYAGA-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylbutanamide (CID 898433) is N-[(4-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is POYRVVMMGTYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(2)7-12(15)14-8-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
N-[(4-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 209.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 898433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).