N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide

C13H17FN2O — CID 115456835

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CN)CC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(11(14)6-9)12(17)16-8-13(7-15)4-5-13/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyJFWSQDGXJSFPGP-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide (PubChem CID 115456835) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
PubChem CID115456835
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CN)CC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(11(14)6-9)12(17)16-8-13(7-15)4-5-13/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyJFWSQDGXJSFPGP-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-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
CID 115456399
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111782022
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
CID 71989711
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide (CID 115456835) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CN)CC2)c(F)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide?
The InChIKey is JFWSQDGXJSFPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(11(14)6-9)12(17)16-8-13(7-15)4-5-13/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-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-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 115456835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).