N-(3-fluorophenyl)-3-methylbenzamide

C14H12FNO — CID 785556

IUPACN-(3-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKeySCHBLUXEKDHYSK-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.39
Rot. Bonds2

About N-(3-fluorophenyl)-3-methylbenzamide

N-(3-fluorophenyl)-3-methylbenzamide (PubChem CID 785556) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methylbenzamide
PubChem CID785556
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC NameN-(3-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKeySCHBLUXEKDHYSK-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-3-methylbenzamide (CID 785556) is N-(3-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-methylbenzamide?
The InChIKey is SCHBLUXEKDHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-3-methylbenzamide?
N-(3-fluorophenyl)-3-methylbenzamide has a molecular weight of 229.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 785556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).