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

C18H18FNO — CID 113091009

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C18H18FNO/c1-12-3-4-14(11-13(12)2)17(21)20-18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyIVJGLDSLYHTWKW-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.86
Rot. Bonds3

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

N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide (PubChem CID 113091009) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
PubChem CID113091009
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C18H18FNO/c1-12-3-4-14(11-13(12)2)17(21)20-18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyIVJGLDSLYHTWKW-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484321
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74251416
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide (CID 113091009) is N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide?
The InChIKey is IVJGLDSLYHTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12-3-4-14(11-13(12)2)17(21)20-18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide?
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide has a molecular weight of 283.35 g/mol, XLogP of 3.86, 3 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 113091009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).