N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide

C14H12F6N4O — CID 171932868

IUPACN-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide
SMILES[N-]=[N+]=NC1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N4O/c15-13(16,17)8-4-7(5-9(6-8)14(18,19)20)12(25)22-10-2-1-3-11(10)23-24-21/h4-6,10-11H,1-3H2,(H,22,25)/t10-,11?/m1/s1
InChIKeyHKGTZDDMOWWEDN-NFJWQWPMSA-N
MW366.27 g/mol
LogP4.69
Rot. Bonds3

About N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide

N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 171932868) has the molecular formula C14H12F6N4O and a molecular weight of 366.27 g/mol. Its IUPAC name is N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID171932868
Molecular FormulaC14H12F6N4O
Molecular Weight366.27 g/mol
Exact Mass366.09
IUPAC NameN-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide
SMILES[N-]=[N+]=NC1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N4O/c15-13(16,17)8-4-7(5-9(6-8)14(18,19)20)12(25)22-10-2-1-3-11(10)23-24-21/h4-6,10-11H,1-3H2,(H,22,25)/t10-,11?/m1/s1
InChIKeyHKGTZDDMOWWEDN-NFJWQWPMSA-N
XLogP4.69
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide (CID 171932868) is N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide is [N-]=[N+]=NC1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HKGTZDDMOWWEDN-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H12F6N4O/c15-13(16,17)8-4-7(5-9(6-8)14(18,19)20)12(25)22-10-2-1-3-11(10)23-24-21/h4-6,10-11H,1-3H2,(H,22,25)/t10-,11?/m1/s1.
What are the key properties of N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 366.27 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-azidocyclopentyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 171932868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).