2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C12H15FN2O2 — CID 113313360

IUPAC2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1(CO)CC1
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-9(10(14)5-8)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H,15,17)
InChIKeyABLBDSIZFJOGCM-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 113313360) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID113313360
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNc1cc(F)ccc1C(=O)NCC1(CO)CC1
InChIInChI=1S/C12H15FN2O2/c13-8-1-2-9(10(14)5-8)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H,15,17)
InChIKeyABLBDSIZFJOGCM-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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

2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-2-bromo-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313078
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 113313360) is 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is Nc1cc(F)ccc1C(=O)NCC1(CO)CC1.
What is the InChIKey of 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is ABLBDSIZFJOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-8-1-2-9(10(14)5-8)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H,15,17).
What are the key properties of 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 238.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).