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

C22H18Cl2N2O3 — CID 3474402

IUPAC4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-7-18(10-14)29-13-21(27)26-20-11-15(8-9-19(20)24)22(28)25-17-6-3-5-16(23)12-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyOBHDROYMKKQWGR-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.57
Rot. Bonds6

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

4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide (PubChem CID 3474402) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
PubChem CID3474402
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-7-18(10-14)29-13-21(27)26-20-11-15(8-9-19(20)24)22(28)25-17-6-3-5-16(23)12-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyOBHDROYMKKQWGR-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
3-chloro-N-(3-methylphenyl)benzamide
CID 722373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide (CID 3474402) is 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide is Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is OBHDROYMKKQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-14-4-2-7-18(10-14)29-13-21(27)26-20-11-15(8-9-19(20)24)22(28)25-17-6-3-5-16(23)12-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide?
4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 3474402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).