N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide

C12H15FN2O — CID 65188796

IUPACN-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
SMILESNCC(NC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)12(16)15-11(7-14)8-5-6-8/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyVROMROOZDJSTTM-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.29
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide

N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide (PubChem CID 65188796) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
PubChem CID65188796
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
SMILESNCC(NC(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)12(16)15-11(7-14)8-5-6-8/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyVROMROOZDJSTTM-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
CID 119613240
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide
CID 65188581
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide (CID 65188796) is N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide is NCC(NC(=O)c1ccccc1F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide?
The InChIKey is VROMROOZDJSTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)12(16)15-11(7-14)8-5-6-8/h1-4,8,11H,5-7,14H2,(H,15,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide?
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide has a molecular weight of 222.26 g/mol, XLogP of 1.29, 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-fluorobenzamide is sourced from PubChem (CID 65188796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).