5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide

C15H21FN2O2 — CID 103296491

IUPAC5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCOC2CCCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(17)9-13(14(10)16)15(19)18-6-7-20-12-4-2-3-5-12/h8-9,12H,2-7,17H2,1H3,(H,18,19)
InChIKeyAYYCWIWZAXIJCE-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.41
Rot. Bonds5

About 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296491) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
PubChem CID103296491
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCOC2CCCC2)c1F
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(17)9-13(14(10)16)15(19)18-6-7-20-12-4-2-3-5-12/h8-9,12H,2-7,17H2,1H3,(H,18,19)
InChIKeyAYYCWIWZAXIJCE-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide (CID 103296491) is 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCCOC2CCCC2)c1F.
What is the InChIKey of 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide?
The InChIKey is AYYCWIWZAXIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-11(17)9-13(14(10)16)15(19)18-6-7-20-12-4-2-3-5-12/h8-9,12H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).