N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide

C18H18FNO — CID 110441487

IUPACN-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C18H18FNO/c1-13-4-2-5-14(12-13)17(21)20-18(10-3-11-18)15-6-8-16(19)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,20,21)
InChIKeyRHSMJEITFMBCFU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.94
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide

N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide (PubChem CID 110441487) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
PubChem CID110441487
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C18H18FNO/c1-13-4-2-5-14(12-13)17(21)20-18(10-3-11-18)15-6-8-16(19)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,20,21)
InChIKeyRHSMJEITFMBCFU-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide
CID 51126175
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 110467073
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide (CID 110441487) is N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide?
The InChIKey is RHSMJEITFMBCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-4-2-5-14(12-13)17(21)20-18(10-3-11-18)15-6-8-16(19)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide?
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide has a molecular weight of 283.35 g/mol, XLogP of 3.94, 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)cyclobutyl]-3-methylbenzamide is sourced from PubChem (CID 110441487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).