N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide

C21H18FNO — CID 4845861

IUPACN-benzyl-2-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2F)c1
InChIInChI=1S/C21H18FNO/c1-16-8-7-11-18(14-16)23(15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)22/h2-14H,15H2,1H3
InChIKeyDVRQWKFHYMAFAF-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.98
Rot. Bonds4

About N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide

N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 4845861) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-(3-methylphenyl)benzamide
PubChem CID4845861
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-benzyl-2-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2F)c1
InChIInChI=1S/C21H18FNO/c1-16-8-7-11-18(14-16)23(15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)22/h2-14H,15H2,1H3
InChIKeyDVRQWKFHYMAFAF-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide (CID 4845861) is N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2F)c1.
What is the InChIKey of N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is DVRQWKFHYMAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-16-8-7-11-18(14-16)23(15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)22/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide?
N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 319.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 4845861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).