2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide

C19H21ClN2O3 — CID 4139864

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
SMILESCCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccccc1O
InChIInChI=1S/C19H21ClN2O3/c1-4-16(15-7-5-6-8-17(15)23)21-22-19(24)13(3)25-18-10-9-14(20)11-12(18)2/h5-11,13,23H,4H2,1-3H3,(H,22,24)
InChIKeyJGCVUJSCYWTQFK-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide

2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide (PubChem CID 4139864) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
PubChem CID4139864
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
SMILESCCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccccc1O
InChIInChI=1S/C19H21ClN2O3/c1-4-16(15-7-5-6-8-17(15)23)21-22-19(24)13(3)25-18-10-9-14(20)11-12(18)2/h5-11,13,23H,4H2,1-3H3,(H,22,24)
InChIKeyJGCVUJSCYWTQFK-UHFFFAOYSA-N
XLogP4.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[1-(2-chlorophenyl)ethylideneamino]propanamide
CID 3390414
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 5122020
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
CID 6258918
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3534165
2-(4-chloro-2-methylphenoxy)-N-(heptylideneamino)propanamide
CID 4233087
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide (CID 4139864) is 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide is CCC(=NNC(=O)C(C)Oc1ccc(Cl)cc1C)c1ccccc1O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide?
The InChIKey is JGCVUJSCYWTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-16(15-7-5-6-8-17(15)23)21-22-19(24)13(3)25-18-10-9-14(20)11-12(18)2/h5-11,13,23H,4H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide has a molecular weight of 360.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide is sourced from PubChem (CID 4139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).