3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide

C19H21F3N2O4 — CID 109040860

IUPAC3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21F3N2O4/c1-26-15-10-14(11-16(27-2)18(15)28-3)24-17(25)8-9-23-13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,25)
InChIKeyMHKWPUCVVUZYPH-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.17
Rot. Bonds8

About 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide

3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109040860) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109040860
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21F3N2O4/c1-26-15-10-14(11-16(27-2)18(15)28-3)24-17(25)8-9-23-13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,25)
InChIKeyMHKWPUCVVUZYPH-UHFFFAOYSA-N
XLogP4.17
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109040860) is 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNc2ccc(C(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is MHKWPUCVVUZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-26-15-10-14(11-16(27-2)18(15)28-3)24-17(25)8-9-23-13-6-4-12(5-7-13)19(20,21)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,25).
What are the key properties of 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide?
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 398.38 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109040860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).