3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide

C18H18Cl2N2O3 — CID 9366131

IUPAC3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12-2-5-14(6-3-12)25-9-8-21-17(23)11-22-18(24)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUSJFGOVOXAKOCC-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.23
Rot. Bonds7

About 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 9366131) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID9366131
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12-2-5-14(6-3-12)25-9-8-21-17(23)11-22-18(24)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUSJFGOVOXAKOCC-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.23
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

2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide (CID 9366131) is 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide is Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is USJFGOVOXAKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12-2-5-14(6-3-12)25-9-8-21-17(23)11-22-18(24)13-4-7-15(19)16(20)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 381.26 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9366131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).