N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide

C16H16FNO3 — CID 33219668

IUPACN-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(F)ccc2C)cc(OC)c1
InChIInChI=1S/C16H16FNO3/c1-10-4-5-11(17)6-15(10)16(19)18-12-7-13(20-2)9-14(8-12)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyZEIHDTJXZQNEHK-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.40
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide

N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide (PubChem CID 33219668) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
PubChem CID33219668
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(F)ccc2C)cc(OC)c1
InChIInChI=1S/C16H16FNO3/c1-10-4-5-11(17)6-15(10)16(19)18-12-7-13(20-2)9-14(8-12)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyZEIHDTJXZQNEHK-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

N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide (CID 33219668) is N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide is COc1cc(NC(=O)c2cc(F)ccc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is ZEIHDTJXZQNEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-4-5-11(17)6-15(10)16(19)18-12-7-13(20-2)9-14(8-12)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide?
N-(3,5-dimethoxyphenyl)-5-fluoro-2-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-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 33219668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).