4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C23H22ClN3O3 — CID 26417233

IUPAC4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H22ClN3O3/c1-2-30-21-13-11-20(12-14-21)27-23(29)16-3-7-19(8-4-16)26-22(28)15-25-18-9-5-17(24)6-10-18/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyDQTXTHQXMLGHHH-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.04
Rot. Bonds8

About 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 26417233) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID26417233
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H22ClN3O3/c1-2-30-21-13-11-20(12-14-21)27-23(29)16-3-7-19(8-4-16)26-22(28)15-25-18-9-5-17(24)6-10-18/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyDQTXTHQXMLGHHH-UHFFFAOYSA-N
XLogP5.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 26417233) is 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is DQTXTHQXMLGHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-2-30-21-13-11-20(12-14-21)27-23(29)16-3-7-19(8-4-16)26-22(28)15-25-18-9-5-17(24)6-10-18/h3-14,25H,2,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 423.90 g/mol, XLogP of 5.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 26417233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).