N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide

C15H13ClFNO2 — CID 102885170

IUPACN-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CCl)c2)c(F)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-12-5-6-13(14(17)8-12)15(19)18-11-4-2-3-10(7-11)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSDYTBOEBUODOX-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.83
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide

N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide (PubChem CID 102885170) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
PubChem CID102885170
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CCl)c2)c(F)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-12-5-6-13(14(17)8-12)15(19)18-11-4-2-3-10(7-11)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSDYTBOEBUODOX-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide (CID 102885170) is N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CCl)c2)c(F)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is JSDYTBOEBUODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-20-12-5-6-13(14(17)8-12)15(19)18-11-4-2-3-10(7-11)9-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide?
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102885170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).