N-benzhydryl-2-fluoro-N-methylbenzamide

C21H18FNO — CID 4853380

IUPACN-benzhydryl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c1-23(21(24)18-14-8-9-15-19(18)22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyUVOFQDLVOMTWAF-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.69
Rot. Bonds4

About N-benzhydryl-2-fluoro-N-methylbenzamide

N-benzhydryl-2-fluoro-N-methylbenzamide (PubChem CID 4853380) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-benzhydryl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-fluoro-N-methylbenzamide
PubChem CID4853380
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-benzhydryl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c1-23(21(24)18-14-8-9-15-19(18)22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyUVOFQDLVOMTWAF-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-fluoro-N-methylbenzamide?
The IUPAC name of N-benzhydryl-2-fluoro-N-methylbenzamide (CID 4853380) is N-benzhydryl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-benzhydryl-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-benzhydryl-2-fluoro-N-methylbenzamide is CN(C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-fluoro-N-methylbenzamide?
The InChIKey is UVOFQDLVOMTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-23(21(24)18-14-8-9-15-19(18)22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3.
What are the key properties of N-benzhydryl-2-fluoro-N-methylbenzamide?
N-benzhydryl-2-fluoro-N-methylbenzamide has a molecular weight of 319.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 4853380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).