2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide

C13H16FN3O2 — CID 43704077

IUPAC2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
SMILESNc1ccc(F)cc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H16FN3O2/c14-8-4-5-10(15)9(7-8)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6,15H2,(H,16,19)(H,17,18)
InChIKeyHQDBPLIVHJMKIB-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide

2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 43704077) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
PubChem CID43704077
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
SMILESNc1ccc(F)cc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H16FN3O2/c14-8-4-5-10(15)9(7-8)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6,15H2,(H,16,19)(H,17,18)
InChIKeyHQDBPLIVHJMKIB-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.81
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-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 62092644
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide
CID 170110523
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
3-(4-fluoroanilino)azepan-2-one
CID 42940986

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide (CID 43704077) is 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide is Nc1ccc(F)cc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is HQDBPLIVHJMKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-8-4-5-10(15)9(7-8)12(18)17-11-3-1-2-6-16-13(11)19/h4-5,7,11H,1-3,6,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide?
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 265.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 43704077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).