4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide

C17H19ClN2O2 — CID 94359742

IUPAC4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESC[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C17H19ClN2O2/c1-13(14-6-4-10-19-12-14)20-17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyJGMSGRDFQFACPQ-ZDUSSCGKSA-N
MW318.80 g/mol
LogP3.77
Rot. Bonds7

About 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide

4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide (PubChem CID 94359742) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
PubChem CID94359742
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESC[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C17H19ClN2O2/c1-13(14-6-4-10-19-12-14)20-17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyJGMSGRDFQFACPQ-ZDUSSCGKSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-(4-chloronaphthalen-1-yl)oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 17404543
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide (CID 94359742) is 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide is C[C@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is JGMSGRDFQFACPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13(14-6-4-10-19-12-14)20-17(21)9-5-11-22-16-8-3-2-7-15(16)18/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide has a molecular weight of 318.80 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 94359742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).