5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C12H13FN4O — CID 65230532

IUPAC5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13FN4O/c13-11-2-1-8(14)5-10(11)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4,14H2,(H,15,17)(H,16,18)
InChIKeyKFWXYVXYOYDJLE-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.10
Rot. Bonds4

About 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 65230532) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID65230532
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H13FN4O/c13-11-2-1-8(14)5-10(11)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4,14H2,(H,15,17)(H,16,18)
InChIKeyKFWXYVXYOYDJLE-UHFFFAOYSA-N
XLogP1.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.10
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-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
CID 114035047
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
2-amino-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzamide
CID 107123230
5-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236991
4,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65232187
4-chloro-2-ethynyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 87493952
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231306
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 65230532) is 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is Nc1ccc(F)c(C(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is KFWXYVXYOYDJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-11-2-1-8(14)5-10(11)12(18)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4,14H2,(H,15,17)(H,16,18).
What are the key properties of 5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 1.10, 4 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-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 65230532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).