(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide

C19H18ClN3O2 — CID 137206859

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-12-9-15(7-8-17(12)20)25-13(2)19(24)23-22-11-14-10-21-18-6-4-3-5-16(14)18/h3-11,13,21H,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyJVJVDAJOGNNQCG-ZDUSSCGKSA-N
MW355.83 g/mol
LogP4.05
Rot. Bonds5

About (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide (PubChem CID 137206859) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
PubChem CID137206859
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-12-9-15(7-8-17(12)20)25-13(2)19(24)23-22-11-14-10-21-18-6-4-3-5-16(14)18/h3-11,13,21H,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyJVJVDAJOGNNQCG-ZDUSSCGKSA-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'}

Analyze (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
2-(4-tert-butylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135805050
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
CID 5431291
(2S)-2-(2,6-dimethylanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135827906
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
CID 129439724
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide (CID 137206859) is (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide is Cc1cc(O[C@@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide?
The InChIKey is JVJVDAJOGNNQCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-9-15(7-8-17(12)20)25-13(2)19(24)23-22-11-14-10-21-18-6-4-3-5-16(14)18/h3-11,13,21H,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-(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 (2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide is sourced from PubChem (CID 137206859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).