N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide

C20H22Cl2N2O3 — CID 18848410

IUPACN-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-3-4-5-10-27-19-17(21)11-14(12-18(19)22)20(26)24-16-8-6-15(7-9-16)23-13(2)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMNJDMWXMTBCYPD-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.77
Rot. Bonds8

About N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide

N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide (PubChem CID 18848410) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
PubChem CID18848410
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-3-4-5-10-27-19-17(21)11-14(12-18(19)22)20(26)24-16-8-6-15(7-9-16)23-13(2)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMNJDMWXMTBCYPD-UHFFFAOYSA-N
XLogP5.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18848899
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide?
The IUPAC name of N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide (CID 18848410) is N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide?
The InChIKey is MNJDMWXMTBCYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-3-4-5-10-27-19-17(21)11-14(12-18(19)22)20(26)24-16-8-6-15(7-9-16)23-13(2)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide?
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide has a molecular weight of 409.31 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide is sourced from PubChem (CID 18848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).