(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide

C18H15Cl2N3O2 — CID 136672401

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C18H15Cl2N3O2/c1-11(25-17-7-6-13(19)8-15(17)20)18(24)23-22-10-12-9-21-16-5-3-2-4-14(12)16/h2-11,21H,1H3,(H,23,24)/b22-10-/t11-/m0/s1
InChIKeyLDWSAHCIBAJOEN-NQWZYWRBSA-N
MW376.24 g/mol
LogP4.39
Rot. Bonds5

About (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide (PubChem CID 136672401) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
PubChem CID136672401
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C18H15Cl2N3O2/c1-11(25-17-7-6-13(19)8-15(17)20)18(24)23-22-10-12-9-21-16-5-3-2-4-14(12)16/h2-11,21H,1H3,(H,23,24)/b22-10-/t11-/m0/s1
InChIKeyLDWSAHCIBAJOEN-NQWZYWRBSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
CID 137206859
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
2-(4-tert-butylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135805050
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 41009806
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
CID 4984952
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
(2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 137081024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide (CID 136672401) is (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide?
The InChIKey is LDWSAHCIBAJOEN-NQWZYWRBSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11(25-17-7-6-13(19)8-15(17)20)18(24)23-22-10-12-9-21-16-5-3-2-4-14(12)16/h2-11,21H,1H3,(H,23,24)/b22-10-/t11-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide has a molecular weight of 376.24 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 136672401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).