N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide

C18H20ClFN2O2 — CID 3231740

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)c(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O2/c1-11(2)7-17(23)21-16-8-12(3)9-22(18(16)24)10-13-14(19)5-4-6-15(13)20/h4-6,8-9,11H,7,10H2,1-3H3,(H,21,23)
InChIKeyIPNHKNWWCPIKKT-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.98
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide (PubChem CID 3231740) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
PubChem CID3231740
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)c(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O2/c1-11(2)7-17(23)21-16-8-12(3)9-22(18(16)24)10-13-14(19)5-4-6-15(13)20/h4-6,8-9,11H,7,10H2,1-3H3,(H,21,23)
InChIKeyIPNHKNWWCPIKKT-UHFFFAOYSA-N
XLogP3.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide (CID 3231740) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide is Cc1cc(NC(=O)CC(C)C)c(=O)n(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
The InChIKey is IPNHKNWWCPIKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-11(2)7-17(23)21-16-8-12(3)9-22(18(16)24)10-13-14(19)5-4-6-15(13)20/h4-6,8-9,11H,7,10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide has a molecular weight of 350.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 3231740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).