N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

C20H22Cl2FN3O2 — CID 112769347

IUPACN-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2FN3O2/c1-3-26(12-19(27)24-11-14-4-7-16(23)8-5-14)13(2)20(28)25-18-10-15(21)6-9-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFXLWZTBDZKWTPN-UHFFFAOYSA-N
MW426.32 g/mol
LogP4.10
Rot. Bonds8

About N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (PubChem CID 112769347) has the molecular formula C20H22Cl2FN3O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
PubChem CID112769347
Molecular FormulaC20H22Cl2FN3O2
Molecular Weight426.32 g/mol
Exact Mass425.11
IUPAC NameN-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2FN3O2/c1-3-26(12-19(27)24-11-14-4-7-16(23)8-5-14)13(2)20(28)25-18-10-15(21)6-9-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFXLWZTBDZKWTPN-UHFFFAOYSA-N
XLogP4.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide 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

N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 112798454
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 8682562
N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112798459
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769821
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201468
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 112796373

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (CID 112769347) is N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The InChIKey is FXLWZTBDZKWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O2/c1-3-26(12-19(27)24-11-14-4-7-16(23)8-5-14)13(2)20(28)25-18-10-15(21)6-9-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide has a molecular weight of 426.32 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112769347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).