N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide

C20H22F2N2O4 — CID 51237492

IUPACN-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-2-27-16-10-5-3-8-14(16)19(26)23-13-7-12-18(25)24-15-9-4-6-11-17(15)28-20(21)22/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyOOIBJPTWZQEANR-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.84
Rot. Bonds10

About N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 51237492) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID51237492
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-2-27-16-10-5-3-8-14(16)19(26)23-13-7-12-18(25)24-15-9-4-6-11-17(15)28-20(21)22/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyOOIBJPTWZQEANR-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide 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

2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
CID 67218627
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide (CID 51237492) is N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is OOIBJPTWZQEANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-2-27-16-10-5-3-8-14(16)19(26)23-13-7-12-18(25)24-15-9-4-6-11-17(15)28-20(21)22/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 392.40 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 51237492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).