3,4-dibenzyl-2-fluorobenzamide

C21H18FNO — CID 69484098

IUPAC3,4-dibenzyl-2-fluorobenzamide
SMILESNC(=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1F
InChIInChI=1S/C21H18FNO/c22-20-18(21(23)24)12-11-17(13-15-7-3-1-4-8-15)19(20)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,23,24)
InChIKeyDOGMPTZRMZLDQG-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.11
Rot. Bonds5

About 3,4-dibenzyl-2-fluorobenzamide

3,4-dibenzyl-2-fluorobenzamide (PubChem CID 69484098) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 3,4-dibenzyl-2-fluorobenzamide.

Molecular Properties

Compound Name3,4-dibenzyl-2-fluorobenzamide
PubChem CID69484098
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name3,4-dibenzyl-2-fluorobenzamide
SMILESNC(=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1F
InChIInChI=1S/C21H18FNO/c22-20-18(21(23)24)12-11-17(13-15-7-3-1-4-8-15)19(20)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,23,24)
InChIKeyDOGMPTZRMZLDQG-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine
CID 174304693
3-benzyl-2,4,5-trifluorobenzoic acid
CID 139623097
2-benzyl-3-chlorobenzamide
CID 23225157
3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
CID 174922883
2-benzyl-4-fluorobenzoic acid
CID 68960960
aniline;2-benzyl-3,4-difluorobenzoic acid;2,3,4-trifluorobenzoic acid
CID 159365610
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide
CID 69005717
2,4-dibenzyl-3-phenylsulfanylbenzenecarbothioic S-acid
CID 175439073
(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 141091433

Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyl-2-fluorobenzamide?
The IUPAC name of 3,4-dibenzyl-2-fluorobenzamide (CID 69484098) is 3,4-dibenzyl-2-fluorobenzamide.
What is the SMILES notation for 3,4-dibenzyl-2-fluorobenzamide?
The canonical SMILES for 3,4-dibenzyl-2-fluorobenzamide is NC(=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1F.
What is the InChIKey of 3,4-dibenzyl-2-fluorobenzamide?
The InChIKey is DOGMPTZRMZLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-20-18(21(23)24)12-11-17(13-15-7-3-1-4-8-15)19(20)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,23,24).
What are the key properties of 3,4-dibenzyl-2-fluorobenzamide?
3,4-dibenzyl-2-fluorobenzamide has a molecular weight of 319.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyl-2-fluorobenzamide is sourced from PubChem (CID 69484098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).