2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C24H23ClN2O4 — CID 4941425

IUPAC2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-3-30-18-10-8-17(9-11-18)26-24(29)20-6-4-5-7-22(20)27-23(28)15-31-19-12-13-21(25)16(2)14-19/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeySXTNUUBVEOQKDB-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.32
Rot. Bonds8

About 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 4941425) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID4941425
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-3-30-18-10-8-17(9-11-18)26-24(29)20-6-4-5-7-22(20)27-23(28)15-31-19-12-13-21(25)16(2)14-19/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeySXTNUUBVEOQKDB-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17134013
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 4941425) is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is SXTNUUBVEOQKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-3-30-18-10-8-17(9-11-18)26-24(29)20-6-4-5-7-22(20)27-23(28)15-31-19-12-13-21(25)16(2)14-19/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 438.91 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 4941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).