N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide

C17H18FNO2 — CID 54788403

IUPACN-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-12(2)11-21-16-9-4-3-8-15(16)17(20)19-14-7-5-6-13(18)10-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyJJWPCHGMIJYGIK-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.11
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide

N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide (PubChem CID 54788403) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
PubChem CID54788403
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-12(2)11-21-16-9-4-3-8-15(16)17(20)19-14-7-5-6-13(18)10-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyJJWPCHGMIJYGIK-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 54788723
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide (CID 54788403) is N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide is CC(C)COc1ccccc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide?
The InChIKey is JJWPCHGMIJYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(2)11-21-16-9-4-3-8-15(16)17(20)19-14-7-5-6-13(18)10-14/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide?
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide has a molecular weight of 287.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 54788403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).