2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide

C12H13F4NO4 — CID 103732227

IUPAC2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1OC
InChIInChI=1S/C12H13F4NO4/c1-19-7-4-6(5-8(20-2)9(7)21-3)17-11(18)12(15,16)10(13)14/h4-5,10H,1-3H3,(H,17,18)
InChIKeyAFOHIMVMXYNZMW-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.55
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide

2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 103732227) has the molecular formula C12H13F4NO4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID103732227
Molecular FormulaC12H13F4NO4
Molecular Weight311.23 g/mol
Exact Mass311.08
IUPAC Name2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1OC
InChIInChI=1S/C12H13F4NO4/c1-19-7-4-6(5-8(20-2)9(7)21-3)17-11(18)12(15,16)10(13)14/h4-5,10H,1-3H3,(H,17,18)
InChIKeyAFOHIMVMXYNZMW-UHFFFAOYSA-N
XLogP2.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3,4,5-trimethoxyphenyl)nonanamide
CID 3350275
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
2,2,3,3-tetrafluoro-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 103732513
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
1-(3,4,5-trimethoxyphenyl)-3-[2-[3-[2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 43835557

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide (CID 103732227) is 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(F)(F)C(F)F)cc(OC)c1OC.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is AFOHIMVMXYNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO4/c1-19-7-4-6(5-8(20-2)9(7)21-3)17-11(18)12(15,16)10(13)14/h4-5,10H,1-3H3,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 311.23 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 103732227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).