N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide

C14H18FNO — CID 79796022

IUPACN-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)CC2CC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9-3-6-12(13(15)7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyKBLZIBGIKYHTAD-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.05
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide

N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide (PubChem CID 79796022) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
PubChem CID79796022
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)CC2CC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9-3-6-12(13(15)7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyKBLZIBGIKYHTAD-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
N-(cyclopropylmethylsulfonyl)-2-fluoro-4-methylbenzamide
CID 84586316
5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65397452
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide (CID 79796022) is N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(C)CC2CC2)c(F)c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide?
The InChIKey is KBLZIBGIKYHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-3-6-12(13(15)7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide?
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide has a molecular weight of 235.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79796022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).