N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene

C18H20FNO — CID 145473701

IUPACN-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene
SMILESCc1ccc(C(=O)NC2CC2)cc1.Cc1ccccc1F
InChIInChI=1S/C11H13NO.C7H7F/c1-8-2-4-9(5-3-8)11(13)12-10-6-7-10;1-6-4-2-3-5-7(6)8/h2-5,10H,6-7H2,1H3,(H,12,13);2-5H,1H3
InChIKeyIYNCJLHQUJBCHU-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.02
Rot. Bonds2

About N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene

N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene (PubChem CID 145473701) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene.

Molecular Properties

Compound NameN-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene
PubChem CID145473701
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene
SMILESCc1ccc(C(=O)NC2CC2)cc1.Cc1ccccc1F
InChIInChI=1S/C11H13NO.C7H7F/c1-8-2-4-9(5-3-8)11(13)12-10-6-7-10;1-6-4-2-3-5-7(6)8/h2-5,10H,6-7H2,1H3,(H,12,13);2-5H,1H3
InChIKeyIYNCJLHQUJBCHU-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110456
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene?
The IUPAC name of N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene (CID 145473701) is N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene.
What is the SMILES notation for N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene?
The canonical SMILES for N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene is Cc1ccc(C(=O)NC2CC2)cc1.Cc1ccccc1F.
What is the InChIKey of N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene?
The InChIKey is IYNCJLHQUJBCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C7H7F/c1-8-2-4-9(5-3-8)11(13)12-10-6-7-10;1-6-4-2-3-5-7(6)8/h2-5,10H,6-7H2,1H3,(H,12,13);2-5H,1H3.
What are the key properties of N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene?
N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene has a molecular weight of 285.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene is sourced from PubChem (CID 145473701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).