2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

C23H21FN2O3 — CID 78796586

IUPAC2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1F
InChIInChI=1S/C23H21FN2O3/c1-26(15-16-12-13-21(29-2)19(24)14-16)23(28)18-10-6-7-11-20(18)25-22(27)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyVRSIRSOQDJHHDG-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.36
Rot. Bonds6

About 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 78796586) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID78796586
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1F
InChIInChI=1S/C23H21FN2O3/c1-26(15-16-12-13-21(29-2)19(24)14-16)23(28)18-10-6-7-11-20(18)25-22(27)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyVRSIRSOQDJHHDG-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796966
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18115905
2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 33191747
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 18144096
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (CID 78796586) is 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1F.
What is the InChIKey of 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is VRSIRSOQDJHHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-26(15-16-12-13-21(29-2)19(24)14-16)23(28)18-10-6-7-11-20(18)25-22(27)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78796586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).