N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide

C17H18FNO — CID 78771211

IUPACN-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-12-8-13(2)10-15(9-12)17(20)19(3)11-14-4-6-16(18)7-5-14/h4-10H,11H2,1-3H3
InChIKeyMAUVUFRSPMFIAK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.71
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide

N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide (PubChem CID 78771211) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
PubChem CID78771211
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-12-8-13(2)10-15(9-12)17(20)19(3)11-14-4-6-16(18)7-5-14/h4-10H,11H2,1-3H3
InChIKeyMAUVUFRSPMFIAK-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 78770425
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide (CID 78771211) is N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide?
The InChIKey is MAUVUFRSPMFIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-8-13(2)10-15(9-12)17(20)19(3)11-14-4-6-16(18)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide?
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 78771211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).