N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide

C18H19FN2O3 — CID 71995172

IUPACN-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19FN2O3/c1-3-24-17-15(8-5-9-16(17)19)18(23)20-11-13-6-4-7-14(10-13)21-12(2)22/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZJMBJRLOSKLRGT-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide

N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide (PubChem CID 71995172) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
PubChem CID71995172
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19FN2O3/c1-3-24-17-15(8-5-9-16(17)19)18(23)20-11-13-6-4-7-14(10-13)21-12(2)22/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZJMBJRLOSKLRGT-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 39573905
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
4-[4-[[(2-ethoxy-3-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247043
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
ethyl [4-[[3-[[(2-hydroxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931936
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 39575257

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide (CID 71995172) is N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide is CCOc1c(F)cccc1C(=O)NCc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide?
The InChIKey is ZJMBJRLOSKLRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-3-24-17-15(8-5-9-16(17)19)18(23)20-11-13-6-4-7-14(10-13)21-12(2)22/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide?
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide has a molecular weight of 330.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide is sourced from PubChem (CID 71995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).