N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide

C20H22Cl2N2O3 — CID 8559595

IUPACN-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-2-27-18-7-4-3-6-16(18)20(26)23-11-5-8-19(25)24-13-14-9-10-15(21)12-17(14)22/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyHIMWUJCKNCFLEL-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.22
Rot. Bonds9

About N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 8559595) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID8559595
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-2-27-18-7-4-3-6-16(18)20(26)23-11-5-8-19(25)24-13-14-9-10-15(21)12-17(14)22/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyHIMWUJCKNCFLEL-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.22
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-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
CID 78795831
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide (CID 8559595) is N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is HIMWUJCKNCFLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-2-27-18-7-4-3-6-16(18)20(26)23-11-5-8-19(25)24-13-14-9-10-15(21)12-17(14)22/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 409.31 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichlorophenyl)methylamino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 8559595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).