5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

C13H17FN2O2 — CID 114755659

IUPAC5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H17FN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18)
InChIKeyYAKVIHLQTARSBG-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds5

About 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 114755659) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
PubChem CID114755659
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H17FN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18)
InChIKeyYAKVIHLQTARSBG-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114755595
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-sulfanylbenzamide
CID 107036494
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116
2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
CID 86816385
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (CID 114755659) is 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is Nc1ccc(F)c(C(=O)NCC2(CCO)CC2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is YAKVIHLQTARSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18).
What are the key properties of 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 114755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).