4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide

C19H20Cl2N2O3 — CID 9440425

IUPAC4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-17-11-14(20)6-9-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyKKBJJAKUDIYKNT-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.54
Rot. Bonds8

About 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide

4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide (PubChem CID 9440425) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
PubChem CID9440425
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-17-11-14(20)6-9-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyKKBJJAKUDIYKNT-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'}

Analyze 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9152510
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide (CID 9440425) is 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide?
The InChIKey is KKBJJAKUDIYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-17-11-14(20)6-9-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide?
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide 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 4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9440425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).