N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide

C19H20FNO — CID 42266052

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FNO/c1-13-3-4-14(2)17(11-13)18(22)21-12-19(9-10-19)15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyMWVBFLZIYXARGD-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.90
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide (PubChem CID 42266052) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
PubChem CID42266052
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FNO/c1-13-3-4-14(2)17(11-13)18(22)21-12-19(9-10-19)15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyMWVBFLZIYXARGD-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55972294

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide (CID 42266052) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide?
The InChIKey is MWVBFLZIYXARGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-3-4-14(2)17(11-13)18(22)21-12-19(9-10-19)15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide has a molecular weight of 297.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 42266052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).