3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide

C18H19F2N3O3 — CID 34067115

IUPAC3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H19F2N3O3/c1-2-21-17(25)12-4-3-5-14(10-12)23-16(24)11-22-13-6-8-15(9-7-13)26-18(19)20/h3-10,18,22H,2,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyHTJXUBYMLXZGQG-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.09
Rot. Bonds8

About 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide

3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide (PubChem CID 34067115) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
PubChem CID34067115
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H19F2N3O3/c1-2-21-17(25)12-4-3-5-14(10-12)23-16(24)11-22-13-6-8-15(9-7-13)26-18(19)20/h3-10,18,22H,2,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyHTJXUBYMLXZGQG-UHFFFAOYSA-N
XLogP3.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide 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

3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)acetamide
CID 9098936
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide (CID 34067115) is 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide?
The InChIKey is HTJXUBYMLXZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-2-21-17(25)12-4-3-5-14(10-12)23-16(24)11-22-13-6-8-15(9-7-13)26-18(19)20/h3-10,18,22H,2,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide?
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide has a molecular weight of 363.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 34067115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).