N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide

C27H23N3O4 — CID 30805523

IUPACN-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)c1
InChIInChI=1S/C27H23N3O4/c1-19-7-6-8-20(17-19)29-27(32)23-9-2-3-10-24(23)30-25(31)18-33-21-12-14-22(15-13-21)34-26-11-4-5-16-28-26/h2-17H,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyWYMDRSRYYXZPKW-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.45
Rot. Bonds8

About N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide

N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide (PubChem CID 30805523) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide
PubChem CID30805523
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)c1
InChIInChI=1S/C27H23N3O4/c1-19-7-6-8-20(17-19)29-27(32)23-9-2-3-10-24(23)30-25(31)18-33-21-12-14-22(15-13-21)34-26-11-4-5-16-28-26/h2-17H,18H2,1H3,(H,29,32)(H,30,31)
InChIKeyWYMDRSRYYXZPKW-UHFFFAOYSA-N
XLogP5.45
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639
N-(2-fluoro-4-hydroxyphenyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75452294
[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199226
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide (CID 30805523) is N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Oc3ccccn3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide?
The InChIKey is WYMDRSRYYXZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-19-7-6-8-20(17-19)29-27(32)23-9-2-3-10-24(23)30-25(31)18-33-21-12-14-22(15-13-21)34-26-11-4-5-16-28-26/h2-17H,18H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide?
N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide has a molecular weight of 453.50 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 30805523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).