3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C20H21F3N2O3 — CID 113119982

IUPAC3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C(C)=O)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(26)25(13-15-6-8-18(28-2)9-7-15)11-10-19(27)24-17-5-3-4-16(12-17)20(21,22)23/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyMNNPKAPCHFFBMX-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.09
Rot. Bonds7

About 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113119982) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113119982
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C(C)=O)cc1
InChIInChI=1S/C20H21F3N2O3/c1-14(26)25(13-15-6-8-18(28-2)9-7-15)11-10-19(27)24-17-5-3-4-16(12-17)20(21,22)23/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyMNNPKAPCHFFBMX-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113119982) is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MNNPKAPCHFFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14(26)25(13-15-6-8-18(28-2)9-7-15)11-10-19(27)24-17-5-3-4-16(12-17)20(21,22)23/h3-9,12H,10-11,13H2,1-2H3,(H,24,27).
What are the key properties of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 394.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113119982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).