N-[(4-fluorophenyl)methyl]-3-methylbenzamide

C15H14FNO — CID 966004

IUPACN-[(4-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWMAWTGLSPZWMOP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.06
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-methylbenzamide

N-[(4-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 966004) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID966004
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWMAWTGLSPZWMOP-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylbenzamide (CID 966004) is N-[(4-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is WMAWTGLSPZWMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11-3-2-4-13(9-11)15(18)17-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methylbenzamide?
N-[(4-fluorophenyl)methyl]-3-methylbenzamide has a molecular weight of 243.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 966004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).