N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide

C19H22FNO4 — CID 110782122

IUPACN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO4/c1-12(2)25-16-7-5-13(9-15(16)20)11-21-19(22)14-6-8-17(23-3)18(10-14)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyRJOIXQNFRPFESX-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.56
Rot. Bonds7

About N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide (PubChem CID 110782122) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
PubChem CID110782122
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO4/c1-12(2)25-16-7-5-13(9-15(16)20)11-21-19(22)14-6-8-17(23-3)18(10-14)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyRJOIXQNFRPFESX-UHFFFAOYSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide (CID 110782122) is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(OC(C)C)c(F)c2)cc1OC.
What is the InChIKey of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is RJOIXQNFRPFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12(2)25-16-7-5-13(9-15(16)20)11-21-19(22)14-6-8-17(23-3)18(10-14)24-4/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide?
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 347.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110782122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).