N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C22H26FN3O3 — CID 51230349

IUPACN-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C22H26FN3O3/c1-3-25(22(28)17-5-4-16(2)20(23)14-17)15-21(27)24-18-6-8-19(9-7-18)26-10-12-29-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyLRVNLMDGRLFKPC-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.07
Rot. Bonds6

About N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 51230349) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID51230349
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C22H26FN3O3/c1-3-25(22(28)17-5-4-16(2)20(23)14-17)15-21(27)24-18-6-8-19(9-7-18)26-10-12-29-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)
InChIKeyLRVNLMDGRLFKPC-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-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

3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55388550
N-ethyl-3,7-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 60567089
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 55380606
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 51230349) is N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is LRVNLMDGRLFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-3-25(22(28)17-5-4-16(2)20(23)14-17)15-21(27)24-18-6-8-19(9-7-18)26-10-12-29-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 51230349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).