N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

C21H23ClF3N3O2 — CID 112798504

IUPACN-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C21H23ClF3N3O2/c1-4-28(14(3)20(30)27-17-11-7-9-16(22)13(17)2)12-19(29)26-18-10-6-5-8-15(18)21(23,24)25/h5-11,14H,4,12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRZPCUOOTOISTES-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.95
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (PubChem CID 112798504) has the molecular formula C21H23ClF3N3O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
PubChem CID112798504
Molecular FormulaC21H23ClF3N3O2
Molecular Weight441.88 g/mol
Exact Mass441.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C21H23ClF3N3O2/c1-4-28(14(3)20(30)27-17-11-7-9-16(22)13(17)2)12-19(29)26-18-10-6-5-8-15(18)21(23,24)25/h5-11,14H,4,12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRZPCUOOTOISTES-UHFFFAOYSA-N
XLogP4.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
CID 112804401
N-(4-ethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798501
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 8682562
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (CID 112798504) is N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The InChIKey is RZPCUOOTOISTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O2/c1-4-28(14(3)20(30)27-17-11-7-9-16(22)13(17)2)12-19(29)26-18-10-6-5-8-15(18)21(23,24)25/h5-11,14H,4,12H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide has a molecular weight of 441.88 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is sourced from PubChem (CID 112798504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).