(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide

C21H16Cl2N2O3 — CID 38112522

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H16Cl2N2O3/c1-13(28-19-7-4-16(22)12-18(19)23)21(27)25-17-5-2-14(3-6-17)20(26)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27)/t13-/m0/s1
InChIKeyPUWKJKIXARTNCM-ZDUSSCGKSA-N
MW415.28 g/mol
LogP5.03
Rot. Bonds6

About (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide (PubChem CID 38112522) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
PubChem CID38112522
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1
InChIInChI=1S/C21H16Cl2N2O3/c1-13(28-19-7-4-16(22)12-18(19)23)21(27)25-17-5-2-14(3-6-17)20(26)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27)/t13-/m0/s1
InChIKeyPUWKJKIXARTNCM-ZDUSSCGKSA-N
XLogP5.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 43878151
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 2225511
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide (CID 38112522) is (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide?
The InChIKey is PUWKJKIXARTNCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c1-13(28-19-7-4-16(22)12-18(19)23)21(27)25-17-5-2-14(3-6-17)20(26)15-8-10-24-11-9-15/h2-13H,1H3,(H,25,27)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide has a molecular weight of 415.28 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 38112522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).