2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide

C19H21ClN2O3 — CID 55659323

IUPAC2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
SMILESCc1cccc(OC(C)C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-6-5-7-15(12-13)25-14(2)18(23)21-10-11-22-19(24)16-8-3-4-9-17(16)20/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYPHXDYSLKNNYDL-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.96
Rot. Bonds7

About 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide

2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide (PubChem CID 55659323) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
PubChem CID55659323
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
SMILESCc1cccc(OC(C)C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-6-5-7-15(12-13)25-14(2)18(23)21-10-11-22-19(24)16-8-3-4-9-17(16)20/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYPHXDYSLKNNYDL-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
2-chloro-N-[2-[[N'-methyl-N-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111685974
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
(2R)-N-(2,6-dichlorophenyl)-2-(3-methylphenoxy)propanamide
CID 41176982
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide (CID 55659323) is 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide is Cc1cccc(OC(C)C(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide?
The InChIKey is YPHXDYSLKNNYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-6-5-7-15(12-13)25-14(2)18(23)21-10-11-22-19(24)16-8-3-4-9-17(16)20/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide?
2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 55659323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).