3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C20H23FN2O6 — CID 58360079

IUPAC3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CO)c(NC(=O)C(C)F)c2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O6/c1-11(21)19(25)23-15-7-12(5-6-13(15)10-24)20(26)22-14-8-16(27-2)18(29-4)17(9-14)28-3/h5-9,11,24H,10H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyVMTLJPLPIIAEFD-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.75
Rot. Bonds8

About 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 58360079) has the molecular formula C20H23FN2O6 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID58360079
Molecular FormulaC20H23FN2O6
Molecular Weight406.41 g/mol
Exact Mass406.15
IUPAC Name3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CO)c(NC(=O)C(C)F)c2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O6/c1-11(21)19(25)23-15-7-12(5-6-13(15)10-24)20(26)22-14-8-16(27-2)18(29-4)17(9-14)28-3/h5-9,11,24H,10H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyVMTLJPLPIIAEFD-UHFFFAOYSA-N
XLogP2.75
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
CID 58360072
(3,4,5-trimethoxyphenyl) 3-(2-bromopropanoylamino)-4-(hydroxymethyl)benzoate
CID 58360139
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
CID 123370060
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 58360079) is 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(CO)c(NC(=O)C(C)F)c2)cc(OC)c1OC.
What is the InChIKey of 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is VMTLJPLPIIAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6/c1-11(21)19(25)23-15-7-12(5-6-13(15)10-24)20(26)22-14-8-16(27-2)18(29-4)17(9-14)28-3/h5-9,11,24H,10H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 406.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 58360079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).