2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

C19H18ClN3O2 — CID 135606908

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-9-15(20)7-8-18(12)25-13(2)19(24)23-22-11-14-10-21-17-6-4-3-5-16(14)17/h3-11,13,21H,1-2H3,(H,23,24)/b22-11+
InChIKeyAHFGAIDFADSDCD-SSDVNMTOSA-N
MW355.83 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (PubChem CID 135606908) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
PubChem CID135606908
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-9-15(20)7-8-18(12)25-13(2)19(24)23-22-11-14-10-21-17-6-4-3-5-16(14)17/h3-11,13,21H,1-2H3,(H,23,24)/b22-11+
InChIKeyAHFGAIDFADSDCD-SSDVNMTOSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.05
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

(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
CID 137206859
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
2-(4-tert-butylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135805050
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
N-(4-chloro-2-methylphenyl)-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3915697
(2S)-2-(2,6-dimethylanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135827906
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 5436558
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
(2S)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136757836

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (CID 135606908) is 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The InChIKey is AHFGAIDFADSDCD-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-9-15(20)7-8-18(12)25-13(2)19(24)23-22-11-14-10-21-17-6-4-3-5-16(14)17/h3-11,13,21H,1-2H3,(H,23,24)/b22-11+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide has a molecular weight of 355.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 135606908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).