N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide

C13H17FN2O2 — CID 107012747

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
SMILESNCCCN(C(=O)c1c(O)cccc1F)C1CC1
InChIInChI=1S/C13H17FN2O2/c14-10-3-1-4-11(17)12(10)13(18)16(8-2-7-15)9-5-6-9/h1,3-4,9,17H,2,5-8,15H2
InChIKeyIJIWUHQDMAKQPJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.48
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide

N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide (PubChem CID 107012747) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
PubChem CID107012747
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
SMILESNCCCN(C(=O)c1c(O)cccc1F)C1CC1
InChIInChI=1S/C13H17FN2O2/c14-10-3-1-4-11(17)12(10)13(18)16(8-2-7-15)9-5-6-9/h1,3-4,9,17H,2,5-8,15H2
InChIKeyIJIWUHQDMAKQPJ-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
CID 107017040
N-(3-aminopropyl)-N-cyclopropyl-2,3,4,5,6-pentafluorobenzamide
CID 43607904
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(3-aminopropyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102873897
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
N-(3-aminopropyl)-N-cyclopropyl-2,4,5-trifluoro-3-hydroxybenzamide
CID 43319289
N-(3-aminopropyl)-N-cyclopropyl-2-(2-hydroxyphenyl)acetamide
CID 80744348
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide (CID 107012747) is N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide is NCCCN(C(=O)c1c(O)cccc1F)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide?
The InChIKey is IJIWUHQDMAKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-3-1-4-11(17)12(10)13(18)16(8-2-7-15)9-5-6-9/h1,3-4,9,17H,2,5-8,15H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide?
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107012747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).