4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

C18H21ClN2O — CID 78888932

IUPAC4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C18H21ClN2O/c1-12-11-13(2)20-14(3)18(12)21-17(22)6-4-5-15-7-9-16(19)10-8-15/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyBNJFCJCLDVHFLL-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (PubChem CID 78888932) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
PubChem CID78888932
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C18H21ClN2O/c1-12-11-13(2)20-14(3)18(12)21-17(22)6-4-5-15-7-9-16(19)10-8-15/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyBNJFCJCLDVHFLL-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837758
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201
3-(4-ethylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859486
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
(3S)-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)pentanamide
CID 124623554
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78873454

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (CID 78888932) is 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide is Cc1cc(C)c(NC(=O)CCCc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The InChIKey is BNJFCJCLDVHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-11-13(2)20-14(3)18(12)21-17(22)6-4-5-15-7-9-16(19)10-8-15/h7-11H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide has a molecular weight of 316.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide is sourced from PubChem (CID 78888932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).