N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide

C21H26FNO3 — CID 55358457

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCCC
InChIInChI=1S/C21H26FNO3/c1-4-12-25-19-11-8-17(14-20(19)26-13-5-2)21(24)23(3)15-16-6-9-18(22)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyURWHQJGAZDFXGH-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.68
Rot. Bonds9

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

N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide (PubChem CID 55358457) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
PubChem CID55358457
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCCC
InChIInChI=1S/C21H26FNO3/c1-4-12-25-19-11-8-17(14-20(19)26-13-5-2)21(24)23(3)15-16-6-9-18(22)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyURWHQJGAZDFXGH-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
CID 18280419
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide (CID 55358457) is N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCCC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide?
The InChIKey is URWHQJGAZDFXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-4-12-25-19-11-8-17(14-20(19)26-13-5-2)21(24)23(3)15-16-6-9-18(22)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide has a molecular weight of 359.44 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide is sourced from PubChem (CID 55358457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).