N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide

C16H16FNO3 — CID 63212434

IUPACN-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C16H16FNO3/c1-10-8-11(4-6-13(10)17)16(19)18-12-5-7-14(20-2)15(9-12)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyALOYEXBLVGHJRN-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.40
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide

N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide (PubChem CID 63212434) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
PubChem CID63212434
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C16H16FNO3/c1-10-8-11(4-6-13(10)17)16(19)18-12-5-7-14(20-2)15(9-12)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyALOYEXBLVGHJRN-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide (CID 63212434) is N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide is COc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is ALOYEXBLVGHJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-8-11(4-6-13(10)17)16(19)18-12-5-7-14(20-2)15(9-12)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide?
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63212434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).