N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide

C12H15FN2O2 — CID 107677141

IUPACN-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
SMILESNCC(NC(=O)c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C12H15FN2O2/c13-10-5-8(16)3-4-9(10)12(17)15-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H,15,17)
InChIKeyVUDAICCHVVWZDR-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.00
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide

N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677141) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677141
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
SMILESNCC(NC(=O)c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C12H15FN2O2/c13-10-5-8(16)3-4-9(10)12(17)15-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H,15,17)
InChIKeyVUDAICCHVVWZDR-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
3-cyclopropyl-3-[(2,4-difluorobenzoyl)amino]propanoic acid
CID 81362386
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide (CID 107677141) is N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide is NCC(NC(=O)c1ccc(O)cc1F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is VUDAICCHVVWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-5-8(16)3-4-9(10)12(17)15-11(6-14)7-1-2-7/h3-5,7,11,16H,1-2,6,14H2,(H,15,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide?
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 238.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).