N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide

C17H15ClFNO2 — CID 126636287

IUPACN-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide
SMILESC=Cc1cccc(F)c1C(=O)N(C)c1cccc(Cl)c1CO
InChIInChI=1S/C17H15ClFNO2/c1-3-11-6-4-8-14(19)16(11)17(22)20(2)15-9-5-7-13(18)12(15)10-21/h3-9,21H,1,10H2,2H3
InChIKeyNMFYZMYHKOXXPW-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.89
Rot. Bonds4

About N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide

N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide (PubChem CID 126636287) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide
PubChem CID126636287
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC NameN-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide
SMILESC=Cc1cccc(F)c1C(=O)N(C)c1cccc(Cl)c1CO
InChIInChI=1S/C17H15ClFNO2/c1-3-11-6-4-8-14(19)16(11)17(22)20(2)15-9-5-7-13(18)12(15)10-21/h3-9,21H,1,10H2,2H3
InChIKeyNMFYZMYHKOXXPW-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide (CID 126636287) is N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide is C=Cc1cccc(F)c1C(=O)N(C)c1cccc(Cl)c1CO.
What is the InChIKey of N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide?
The InChIKey is NMFYZMYHKOXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-3-11-6-4-8-14(19)16(11)17(22)20(2)15-9-5-7-13(18)12(15)10-21/h3-9,21H,1,10H2,2H3.
What are the key properties of N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide?
N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide has a molecular weight of 319.76 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(hydroxymethyl)phenyl]-2-ethenyl-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 126636287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).