2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide

C20H22Cl2N2O3 — CID 108541813

IUPAC2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
SMILESCc1ccccc1OCCCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-14-5-2-3-6-18(14)27-12-4-7-19(25)23-10-11-24-20(26)16-13-15(21)8-9-17(16)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyYYYOUPYVAGPMIW-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.01
Rot. Bonds9

About 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide

2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide (PubChem CID 108541813) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
PubChem CID108541813
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
SMILESCc1ccccc1OCCCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-14-5-2-3-6-18(14)27-12-4-7-19(25)23-10-11-24-20(26)16-13-15(21)8-9-17(16)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyYYYOUPYVAGPMIW-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.01
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-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541808
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2,5-dichloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108542215
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108573410
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
2-chloro-N-[2-[4-(2,6-dimethylphenoxy)butanoylamino]ethyl]-6-fluorobenzamide
CID 108541709

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide (CID 108541813) is 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide is Cc1ccccc1OCCCC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide?
The InChIKey is YYYOUPYVAGPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-14-5-2-3-6-18(14)27-12-4-7-19(25)23-10-11-24-20(26)16-13-15(21)8-9-17(16)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide?
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide has a molecular weight of 409.31 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide is sourced from PubChem (CID 108541813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).