N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide

C19H20ClF3N2O4 — CID 46667030

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H20ClF3N2O4/c1-10(24-12-8-15(27-2)17(29-4)16(9-12)28-3)18(26)25-14-6-5-11(20)7-13(14)19(21,22)23/h5-10,24H,1-4H3,(H,25,26)
InChIKeyJXKHOOIDNPFVNN-UHFFFAOYSA-N
MW432.83 g/mol
LogP4.82
Rot. Bonds7

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 46667030) has the molecular formula C19H20ClF3N2O4 and a molecular weight of 432.83 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID46667030
Molecular FormulaC19H20ClF3N2O4
Molecular Weight432.83 g/mol
Exact Mass432.11
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C19H20ClF3N2O4/c1-10(24-12-8-15(27-2)17(29-4)16(9-12)28-3)18(26)25-14-6-5-11(20)7-13(14)19(21,22)23/h5-10,24H,1-4H3,(H,25,26)
InChIKeyJXKHOOIDNPFVNN-UHFFFAOYSA-N
XLogP4.82
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.83
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490
[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 55416672
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 47005825
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide (CID 46667030) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is JXKHOOIDNPFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O4/c1-10(24-12-8-15(27-2)17(29-4)16(9-12)28-3)18(26)25-14-6-5-11(20)7-13(14)19(21,22)23/h5-10,24H,1-4H3,(H,25,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 432.83 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 46667030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).