4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide

C22H20ClN3O3 — CID 17402450

IUPAC4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H20ClN3O3/c1-14-2-9-18(10-3-14)29-20-11-6-16(23)12-19(20)25-13-21(27)26-17-7-4-15(5-8-17)22(24)28/h2-12,25H,13H2,1H3,(H2,24,28)(H,26,27)
InChIKeyXCCXINHDWZQSBH-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.59
Rot. Bonds7

About 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide

4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide (PubChem CID 17402450) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide
PubChem CID17402450
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H20ClN3O3/c1-14-2-9-18(10-3-14)29-20-11-6-16(23)12-19(20)25-13-21(27)26-17-7-4-15(5-8-17)22(24)28/h2-12,25H,13H2,1H3,(H2,24,28)(H,26,27)
InChIKeyXCCXINHDWZQSBH-UHFFFAOYSA-N
XLogP4.59
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
CID 22305357
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
CID 26526675
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide (CID 17402450) is 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide is Cc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide?
The InChIKey is XCCXINHDWZQSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-14-2-9-18(10-3-14)29-20-11-6-16(23)12-19(20)25-13-21(27)26-17-7-4-15(5-8-17)22(24)28/h2-12,25H,13H2,1H3,(H2,24,28)(H,26,27).
What are the key properties of 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide?
4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide has a molecular weight of 409.87 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 17402450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).