2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide

C19H23ClN2O — CID 110296865

IUPAC2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-2-3-4-11-22-19(23)18(14-15-9-12-21-13-10-15)16-5-7-17(20)8-6-16/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,22,23)
InChIKeyZMNWCQIIXAYYFA-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.37
Rot. Bonds8

About 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide

2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide (PubChem CID 110296865) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
PubChem CID110296865
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-2-3-4-11-22-19(23)18(14-15-9-12-21-13-10-15)16-5-7-17(20)8-6-16/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,22,23)
InChIKeyZMNWCQIIXAYYFA-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 110296857
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
CID 110296687
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
CID 110296890
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
N-[1-(hexadecylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]octadec-9-enamide
CID 67196316
1-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-pentylthiourea
CID 9187630
N-pentylpyridine-4-carboxamide
CID 2307296
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
CID 110354795
N-hexylpyridine-4-carboxamide
CID 3423732

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide (CID 110296865) is 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide is CCCCCNC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide?
The InChIKey is ZMNWCQIIXAYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-2-3-4-11-22-19(23)18(14-15-9-12-21-13-10-15)16-5-7-17(20)8-6-16/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide?
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide has a molecular weight of 330.86 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).