N-benzyl-4-fluoro-N-methylbenzamide

C15H14FNO — CID 669229

IUPACN-benzyl-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(16)10-8-13/h2-10H,11H2,1H3
InChIKeyPJYDMQKKOGHSPD-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.10
Rot. Bonds3

About N-benzyl-4-fluoro-N-methylbenzamide

N-benzyl-4-fluoro-N-methylbenzamide (PubChem CID 669229) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-methylbenzamide
PubChem CID669229
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC NameN-benzyl-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(16)10-8-13/h2-10H,11H2,1H3
InChIKeyPJYDMQKKOGHSPD-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-methylbenzamide?
The IUPAC name of N-benzyl-4-fluoro-N-methylbenzamide (CID 669229) is N-benzyl-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-fluoro-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-fluoro-N-methylbenzamide?
The InChIKey is PJYDMQKKOGHSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(16)10-8-13/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-4-fluoro-N-methylbenzamide?
N-benzyl-4-fluoro-N-methylbenzamide has a molecular weight of 243.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 669229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).