N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide

C18H19FN2O3 — CID 113059178

IUPACN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-13(22)21(17-9-4-3-8-16(17)19)11-10-20-18(23)14-6-5-7-15(12-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySVZYAZAXDQBXGI-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide (PubChem CID 113059178) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
PubChem CID113059178
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-13(22)21(17-9-4-3-8-16(17)19)11-10-20-18(23)14-6-5-7-15(12-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySVZYAZAXDQBXGI-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
CID 113062380
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide (CID 113059178) is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(C(C)=O)c2ccccc2F)c1.
What is the InChIKey of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide?
The InChIKey is SVZYAZAXDQBXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-13(22)21(17-9-4-3-8-16(17)19)11-10-20-18(23)14-6-5-7-15(12-14)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide?
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113059178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).