3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide

C21H19ClN2O3 — CID 55881604

IUPAC3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C21H19ClN2O3/c22-17-4-3-5-19(14-17)27-13-11-20(25)23-18-9-7-16(8-10-18)15-24-12-2-1-6-21(24)26/h1-10,12,14H,11,13,15H2,(H,23,25)
InChIKeyHDOCTTSPYNCNGH-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.96
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide

3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide (PubChem CID 55881604) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
PubChem CID55881604
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C21H19ClN2O3/c22-17-4-3-5-19(14-17)27-13-11-20(25)23-18-9-7-16(8-10-18)15-24-12-2-1-6-21(24)26/h1-10,12,14H,11,13,15H2,(H,23,25)
InChIKeyHDOCTTSPYNCNGH-UHFFFAOYSA-N
XLogP3.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224
methyl 2-[[2-[4-[3-(3-chlorophenoxy)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781822
3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
CID 166221886
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121364647
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
3-[2-(3-chlorophenoxy)ethylsulfanyl]-N-phenylpropanamide
CID 46575235
1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
CID 47628361
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(3-chlorophenoxy)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 55766234
3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
CID 56583336
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide (CID 55881604) is 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide is O=C(CCOc1cccc(Cl)c1)Nc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide?
The InChIKey is HDOCTTSPYNCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-17-4-3-5-19(14-17)27-13-11-20(25)23-18-9-7-16(8-10-18)15-24-12-2-1-6-21(24)26/h1-10,12,14H,11,13,15H2,(H,23,25).
What are the key properties of 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide?
3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide has a molecular weight of 382.85 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide is sourced from PubChem (CID 55881604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).