N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide

C17H24FN3O2 — CID 95131340

IUPACN-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide
SMILESC[C@@H](NCCNC(=O)c1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H24FN3O2/c1-12(16(22)21-15-4-2-3-5-15)19-10-11-20-17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,2-5,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyIAXYBYIWEHDDGC-GFCCVEGCSA-N
MW321.40 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide

N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide (PubChem CID 95131340) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide
PubChem CID95131340
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide
SMILESC[C@@H](NCCNC(=O)c1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H24FN3O2/c1-12(16(22)21-15-4-2-3-5-15)19-10-11-20-17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,2-5,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyIAXYBYIWEHDDGC-GFCCVEGCSA-N
XLogP1.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide (CID 95131340) is N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide is C[C@@H](NCCNC(=O)c1ccc(F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide?
The InChIKey is IAXYBYIWEHDDGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(16(22)21-15-4-2-3-5-15)19-10-11-20-17(23)13-6-8-14(18)9-7-13/h6-9,12,15,19H,2-5,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide?
N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide has a molecular weight of 321.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 95131340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).