2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide

C16H17ClN2O — CID 24685247

IUPAC2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(C(=O)Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2H3,(H,18,19,20)
InChIKeyULEUQKCXZJBHSC-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide

2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide (PubChem CID 24685247) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide
PubChem CID24685247
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide
SMILESCC(C)C(C(=O)Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2H3,(H,18,19,20)
InChIKeyULEUQKCXZJBHSC-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide (CID 24685247) is 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide is CC(C)C(C(=O)Nc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide?
The InChIKey is ULEUQKCXZJBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(2)15(12-3-5-13(17)6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide?
2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide has a molecular weight of 288.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 24685247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).