4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide

C16H21FN2O — CID 79211583

IUPAC4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
SMILESCC(C)C(NC(=O)C1C=CC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(20)12-5-8-14(18)9-12/h3-8,10,12,14-15H,9,18H2,1-2H3,(H,19,20)
InChIKeyWLQWWHANEJHDOT-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79211583) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
PubChem CID79211583
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
SMILESCC(C)C(NC(=O)C1C=CC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(20)12-5-8-14(18)9-12/h3-8,10,12,14-15H,9,18H2,1-2H3,(H,19,20)
InChIKeyWLQWWHANEJHDOT-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
CID 63715437
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207896
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide (CID 79211583) is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide is CC(C)C(NC(=O)C1C=CC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is WLQWWHANEJHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(20)12-5-8-14(18)9-12/h3-8,10,12,14-15H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).