N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide

C18H19FN2O4 — CID 112992471

IUPACN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O4/c1-24-14-8-5-9-15(25-2)17(14)18(23)21-11-16(22)20-10-12-6-3-4-7-13(12)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJCVNQAPQQVSKKD-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.89
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide

N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide (PubChem CID 112992471) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
PubChem CID112992471
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O4/c1-24-14-8-5-9-15(25-2)17(14)18(23)21-11-16(22)20-10-12-6-3-4-7-13(12)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJCVNQAPQQVSKKD-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide (CID 112992471) is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide?
The InChIKey is JCVNQAPQQVSKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-14-8-5-9-15(25-2)17(14)18(23)21-11-16(22)20-10-12-6-3-4-7-13(12)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide?
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 112992471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).