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

C16H17ClN2O — CID 46226142

IUPAC2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)15(12-5-7-13(17)8-6-12)16(20)19-14-4-3-9-18-10-14/h3-11,15H,1-2H3,(H,19,20)
InChIKeyILCJEENXGVKZEJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.11
Rot. Bonds4

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

2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide (PubChem CID 46226142) 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-3-ylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
PubChem CID46226142
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)15(12-5-7-13(17)8-6-12)16(20)19-14-4-3-9-18-10-14/h3-11,15H,1-2H3,(H,19,20)
InChIKeyILCJEENXGVKZEJ-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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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
CID 1208584
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
pyridin-3-yl 2-(4-chlorophenyl)-3-methylbutanoate
CID 174421603
(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 9071413
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide (CID 46226142) is 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide is CC(C)C(C(=O)Nc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide?
The InChIKey is ILCJEENXGVKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(2)15(12-5-7-13(17)8-6-12)16(20)19-14-4-3-9-18-10-14/h3-11,15H,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide?
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-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-3-ylbutanamide is sourced from PubChem (CID 46226142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).