4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide

C22H18Cl2N2O3 — CID 56548908

IUPAC4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-19-3-1-2-14(20(19)24)12-13-26-22(28)16-6-10-18(11-7-16)29-17-8-4-15(5-9-17)21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyHNQYBFKTMQHUHL-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.86
Rot. Bonds7

About 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide

4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide (PubChem CID 56548908) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
PubChem CID56548908
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-19-3-1-2-14(20(19)24)12-13-26-22(28)16-6-10-18(11-7-16)29-17-8-4-15(5-9-17)21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyHNQYBFKTMQHUHL-UHFFFAOYSA-N
XLogP4.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147
4-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 86853299
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55866596
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
1-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119296433
4-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethylcarbamoyl]phenoxy]benzamide
CID 56548513

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide (CID 56548908) is 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The InChIKey is HNQYBFKTMQHUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-19-3-1-2-14(20(19)24)12-13-26-22(28)16-6-10-18(11-7-16)29-17-8-4-15(5-9-17)21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28).
What are the key properties of 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide has a molecular weight of 429.30 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).