N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide

C16H16FNO3 — CID 17068329

IUPACN-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2F)c1OC
InChIInChI=1S/C16H16FNO3/c1-20-14-9-5-7-12(15(14)21-2)16(19)18-10-11-6-3-4-8-13(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyCYBCBEWZMFIALW-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.77
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide

N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide (PubChem CID 17068329) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
PubChem CID17068329
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2F)c1OC
InChIInChI=1S/C16H16FNO3/c1-20-14-9-5-7-12(15(14)21-2)16(19)18-10-11-6-3-4-8-13(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyCYBCBEWZMFIALW-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide (CID 17068329) is N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2ccccc2F)c1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is CYBCBEWZMFIALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-14-9-5-7-12(15(14)21-2)16(19)18-10-11-6-3-4-8-13(11)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide?
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 17068329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).