4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide

C15H21FN2O — CID 106006332

IUPAC4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCCC2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-13-10-12(7-8-14(13)17)15(19)18-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyMELJETVCMOOQMI-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.11
Rot. Bonds5

About 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide

4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide (PubChem CID 106006332) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
PubChem CID106006332
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCCC2CCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-13-10-12(7-8-14(13)17)15(19)18-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyMELJETVCMOOQMI-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
CID 61102915
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide (CID 106006332) is 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide is Nc1ccc(C(=O)NCCCC2CCCC2)cc1F.
What is the InChIKey of 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide?
The InChIKey is MELJETVCMOOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-13-10-12(7-8-14(13)17)15(19)18-9-3-6-11-4-1-2-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19).
What are the key properties of 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide?
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide has a molecular weight of 264.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide is sourced from PubChem (CID 106006332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).