N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide

C20H24F2N2O2 — CID 73387982

IUPACN-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(COc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H24F2N2O2/c1-12-8-15(11-26-17-7-6-14(21)9-16(17)22)23-13(2)19(12)24-18(25)10-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,25)
InChIKeyWQYYKJWKMDSBOV-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.93
Rot. Bonds5

About N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide

N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 73387982) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID73387982
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(COc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H24F2N2O2/c1-12-8-15(11-26-17-7-6-14(21)9-16(17)22)23-13(2)19(12)24-18(25)10-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,25)
InChIKeyWQYYKJWKMDSBOV-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide (CID 73387982) is N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide is Cc1cc(COc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is WQYYKJWKMDSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-12-8-15(11-26-17-7-6-14(21)9-16(17)22)23-13(2)19(12)24-18(25)10-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,25).
What are the key properties of N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide?
N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 362.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 73387982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).