3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

C16H17ClN2O — CID 47141858

IUPAC3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCc1ccccn1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-4-13(12-14)7-8-16(20)19-11-9-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11H2,(H,19,20)
InChIKeyYVQPBLOHDNDNIV-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.03
Rot. Bonds6

About 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 47141858) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID47141858
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCc1ccccn1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-4-13(12-14)7-8-16(20)19-11-9-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11H2,(H,19,20)
InChIKeyYVQPBLOHDNDNIV-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
CID 70197482
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 47141858) is 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CCc1cccc(Cl)c1)NCCc1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is YVQPBLOHDNDNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-5-3-4-13(12-14)7-8-16(20)19-11-9-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11H2,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 47141858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).