3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H21Cl2N3O2 — CID 54810893

IUPAC3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H21Cl2N3O2/c1-15(16-6-3-2-4-7-16)27-23(30)17-8-5-9-19(12-17)28-22(29)14-26-21-11-10-18(24)13-20(21)25/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyVIEWPPMRUBBONH-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.53
Rot. Bonds7

About 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54810893) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54810893
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H21Cl2N3O2/c1-15(16-6-3-2-4-7-16)27-23(30)17-8-5-9-19(12-17)28-22(29)14-26-21-11-10-18(24)13-20(21)25/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyVIEWPPMRUBBONH-UHFFFAOYSA-N
XLogP5.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54827700

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54810893) is 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is VIEWPPMRUBBONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-15(16-6-3-2-4-7-16)27-23(30)17-8-5-9-19(12-17)28-22(29)14-26-21-11-10-18(24)13-20(21)25/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 442.35 g/mol, XLogP of 5.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).