N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide

C27H22N2O4 — CID 18870214

IUPACN-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22N2O4/c30-26(28-21-14-16-24(17-15-21)33-23-11-5-2-6-12-23)19-32-25-13-7-10-22(18-25)29-27(31)20-8-3-1-4-9-20/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKMVGMXZBFIMGNJ-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.75
Rot. Bonds8

About N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide

N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide (PubChem CID 18870214) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
PubChem CID18870214
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccccc2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22N2O4/c30-26(28-21-14-16-24(17-15-21)33-23-11-5-2-6-12-23)19-32-25-13-7-10-22(18-25)29-27(31)20-8-3-1-4-9-20/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKMVGMXZBFIMGNJ-UHFFFAOYSA-N
XLogP5.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
CID 4783939
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide?
The IUPAC name of N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide (CID 18870214) is N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide is O=C(COc1cccc(NC(=O)c2ccccc2)c1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide?
The InChIKey is KMVGMXZBFIMGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c30-26(28-21-14-16-24(17-15-21)33-23-11-5-2-6-12-23)19-32-25-13-7-10-22(18-25)29-27(31)20-8-3-1-4-9-20/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide?
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide has a molecular weight of 438.48 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 18870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).