N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide

C19H20Cl2N2O3 — CID 26586169

IUPACN-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-2-26-16-10-4-3-7-13(16)19(25)22-12-6-11-17(24)23-15-9-5-8-14(20)18(15)21/h3-5,7-10H,2,6,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXHEILPYWUOLMRV-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.54
Rot. Bonds8

About N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide

N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 26586169) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
PubChem CID26586169
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-2-26-16-10-4-3-7-13(16)19(25)22-12-6-11-17(24)23-15-9-5-8-14(20)18(15)21/h3-5,7-10H,2,6,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXHEILPYWUOLMRV-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.54
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

2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
N-[4-[2-chloro-5-(diethylsulfamoyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427118
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 8559595

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide (CID 26586169) is N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is XHEILPYWUOLMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-26-16-10-4-3-7-13(16)19(25)22-12-6-11-17(24)23-15-9-5-8-14(20)18(15)21/h3-5,7-10H,2,6,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide?
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 26586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).