N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide

C13H17FN2O — CID 65188786

IUPACN-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C13H17FN2O/c1-8-2-5-11(14)10(6-8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyLISNDSHWJUPWGC-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.60
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide (PubChem CID 65188786) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
PubChem CID65188786
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C13H17FN2O/c1-8-2-5-11(14)10(6-8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyLISNDSHWJUPWGC-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
2-fluoro-5-methyl-N-(1-piperidin-4-ylethyl)benzamide
CID 62515843
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide (CID 65188786) is N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide?
The InChIKey is LISNDSHWJUPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-2-5-11(14)10(6-8)13(17)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 65188786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).