N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide

C19H20FNO — CID 42266032

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FNO/c1-13-9-14(2)11-15(10-13)18(22)21-12-19(7-8-19)16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyWYOLUCJKPRHITR-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.90
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide (PubChem CID 42266032) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
PubChem CID42266032
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FNO/c1-13-9-14(2)11-15(10-13)18(22)21-12-19(7-8-19)16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyWYOLUCJKPRHITR-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

Analyze N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide (CID 42266032) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is WYOLUCJKPRHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-9-14(2)11-15(10-13)18(22)21-12-19(7-8-19)16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-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]-3,5-dimethylbenzamide is sourced from PubChem (CID 42266032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).