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

C27H22N2O4 — CID 4783939

IUPACN-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H22N2O4/c30-26(29-24-13-7-8-14-25(24)33-23-11-5-2-6-12-23)19-32-22-17-15-21(16-18-22)28-27(31)20-9-3-1-4-10-20/h1-18H,19H2,(H,28,31)(H,29,30)
InChIKeyRKTDJQTXKKRCNE-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.75
Rot. Bonds8

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

N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide (PubChem CID 4783939) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
PubChem CID4783939
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H22N2O4/c30-26(29-24-13-7-8-14-25(24)33-23-11-5-2-6-12-23)19-32-22-17-15-21(16-18-22)28-27(31)20-9-3-1-4-10-20/h1-18H,19H2,(H,28,31)(H,29,30)
InChIKeyRKTDJQTXKKRCNE-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

N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
2-[4-(morpholine-4-carbonyl)phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 18837764
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
4-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2-ethoxyphenyl)benzamide
CID 156704858

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide (CID 4783939) is N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide is O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide?
The InChIKey is RKTDJQTXKKRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c30-26(29-24-13-7-8-14-25(24)33-23-11-5-2-6-12-23)19-32-22-17-15-21(16-18-22)28-27(31)20-9-3-1-4-10-20/h1-18H,19H2,(H,28,31)(H,29,30).
What are the key properties of N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide?
N-[4-[2-oxo-2-(2-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-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 4783939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).