4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide

C22H19ClN2O3 — CID 56545147

IUPAC4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c23-18-3-1-2-15(14-18)12-13-25-22(27)17-6-10-20(11-7-17)28-19-8-4-16(5-9-19)21(24)26/h1-11,14H,12-13H2,(H2,24,26)(H,25,27)
InChIKeyZZTGNXOMRYYNBI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.20
Rot. Bonds7

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

4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide (PubChem CID 56545147) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
PubChem CID56545147
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c23-18-3-1-2-15(14-18)12-13-25-22(27)17-6-10-20(11-7-17)28-19-8-4-16(5-9-19)21(24)26/h1-11,14H,12-13H2,(H2,24,26)(H,25,27)
InChIKeyZZTGNXOMRYYNBI-UHFFFAOYSA-N
XLogP4.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56548908
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
2-(3-chlorophenyl)ethylurea
CID 127513466
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide (CID 56545147) is 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
The InChIKey is ZZTGNXOMRYYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-18-3-1-2-15(14-18)12-13-25-22(27)17-6-10-20(11-7-17)28-19-8-4-16(5-9-19)21(24)26/h1-11,14H,12-13H2,(H2,24,26)(H,25,27).
What are the key properties of 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide?
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).