4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide

C18H18Cl2N2O2 — CID 67862307

IUPAC4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
SMILESCCCN(C(C)=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-11-22(12(2)23)14-9-7-13(8-10-14)18(24)21-16-6-4-5-15(19)17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyOZSZFNHSPHTNHL-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.01
Rot. Bonds5

About 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide

4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide (PubChem CID 67862307) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
PubChem CID67862307
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
SMILESCCCN(C(C)=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-11-22(12(2)23)14-9-7-13(8-10-14)18(24)21-16-6-4-5-15(19)17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyOZSZFNHSPHTNHL-UHFFFAOYSA-N
XLogP5.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129516
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069
4-(2-amino-2-oxoethyl)-N-(2,3-dichlorophenyl)benzamide
CID 14883992
N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
2-(N-acetyl-3,4-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide?
The IUPAC name of 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide (CID 67862307) is 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide.
What is the SMILES notation for 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide?
The canonical SMILES for 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide is CCCN(C(C)=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide?
The InChIKey is OZSZFNHSPHTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-11-22(12(2)23)14-9-7-13(8-10-14)18(24)21-16-6-4-5-15(19)17(16)20/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide?
4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide has a molecular weight of 365.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide is sourced from PubChem (CID 67862307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).