3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide

C19H20Cl2N2O3 — CID 86863926

IUPAC3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O3/c1-12-4-5-14(10-17(12)23-13(2)24)19(25)22-8-3-9-26-18-7-6-15(20)11-16(18)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMAHQGXGIIDYIKX-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.46
Rot. Bonds7

About 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide

3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide (PubChem CID 86863926) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide
PubChem CID86863926
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O3/c1-12-4-5-14(10-17(12)23-13(2)24)19(25)22-8-3-9-26-18-7-6-15(20)11-16(18)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMAHQGXGIIDYIKX-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.46
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

4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
CID 19184459
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
CID 60599919
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 60599859
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide (CID 86863926) is 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)ccc1C.
What is the InChIKey of 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide?
The InChIKey is MAHQGXGIIDYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12-4-5-14(10-17(12)23-13(2)24)19(25)22-8-3-9-26-18-7-6-15(20)11-16(18)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide?
3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylbenzamide is sourced from PubChem (CID 86863926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).