2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

C18H19F3N2O4 — CID 45100106

IUPAC2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-11(22-13-8-15(25-2)10-16(9-13)26-3)17(24)23-12-4-6-14(7-5-12)27-18(19,20)21/h4-11,22H,1-3H3,(H,23,24)
InChIKeyIDPFQSUSYYIPON-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.04
Rot. Bonds7

About 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 45100106) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID45100106
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-11(22-13-8-15(25-2)10-16(9-13)26-3)17(24)23-12-4-6-14(7-5-12)27-18(19,20)21/h4-11,22H,1-3H3,(H,23,24)
InChIKeyIDPFQSUSYYIPON-UHFFFAOYSA-N
XLogP4.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 45100106) is 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is COc1cc(NC(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is IDPFQSUSYYIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-11(22-13-8-15(25-2)10-16(9-13)26-3)17(24)23-12-4-6-14(7-5-12)27-18(19,20)21/h4-11,22H,1-3H3,(H,23,24).
What are the key properties of 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 384.35 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 45100106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).