(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide

C21H24Cl2N2O2 — CID 124835798

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-14-5-3-4-12-25(14)18-9-7-17(8-10-18)24-21(26)15(2)27-20-11-6-16(22)13-19(20)23/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,26)/t14-,15+/m1/s1
InChIKeyRJQXEDHGUKIIPC-CABCVRRESA-N
MW407.34 g/mol
LogP5.78
Rot. Bonds5

About (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide (PubChem CID 124835798) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
PubChem CID124835798
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-14-5-3-4-12-25(14)18-9-7-17(8-10-18)24-21(26)15(2)27-20-11-6-16(22)13-19(20)23/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,26)/t14-,15+/m1/s1
InChIKeyRJQXEDHGUKIIPC-CABCVRRESA-N
XLogP5.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927
(2R)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 1093478
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
2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 43878151
2-(2,4-dichlorophenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3717576
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40836957
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide (CID 124835798) is (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide?
The InChIKey is RJQXEDHGUKIIPC-CABCVRRESA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-14-5-3-4-12-25(14)18-9-7-17(8-10-18)24-21(26)15(2)27-20-11-6-16(22)13-19(20)23/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,26)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide has a molecular weight of 407.34 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 124835798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).