5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide

C16H24FN3O — CID 103296218

IUPAC5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCN2CCCCCC2)c1F
InChIInChI=1S/C16H24FN3O/c1-12-10-13(18)11-14(15(12)17)16(21)19-6-9-20-7-4-2-3-5-8-20/h10-11H,2-9,18H2,1H3,(H,19,21)
InChIKeyNIAFKKZEAVDFIS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.32
Rot. Bonds4

About 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide

5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide (PubChem CID 103296218) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
PubChem CID103296218
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCN2CCCCCC2)c1F
InChIInChI=1S/C16H24FN3O/c1-12-10-13(18)11-14(15(12)17)16(21)19-6-9-20-7-4-2-3-5-8-20/h10-11H,2-9,18H2,1H3,(H,19,21)
InChIKeyNIAFKKZEAVDFIS-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296207
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide (CID 103296218) is 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCCN2CCCCCC2)c1F.
What is the InChIKey of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide?
The InChIKey is NIAFKKZEAVDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12-10-13(18)11-14(15(12)17)16(21)19-6-9-20-7-4-2-3-5-8-20/h10-11H,2-9,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide?
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide has a molecular weight of 293.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).