2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide

C21H22Cl2N2O3 — CID 43878151

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-14(28-19-10-7-16(22)13-18(19)23)20(26)24-17-8-5-15(6-9-17)21(27)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyTWYNRRPGLZYPON-UHFFFAOYSA-N
MW421.32 g/mol
LogP5.03
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 43878151) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID43878151
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-14(28-19-10-7-16(22)13-18(19)23)20(26)24-17-8-5-15(6-9-17)21(27)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyTWYNRRPGLZYPON-UHFFFAOYSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
(2R)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 1093478
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 124835798
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide (CID 43878151) is 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is TWYNRRPGLZYPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-14(28-19-10-7-16(22)13-18(19)23)20(26)24-17-8-5-15(6-9-17)21(27)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 421.32 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 43878151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).