N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide

C13H15F2IN2O — CID 119573143

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
SMILESCC(CN)(NC(=O)c1cc(F)c(F)cc1I)C1CC1
InChIInChI=1S/C13H15F2IN2O/c1-13(6-17,7-2-3-7)18-12(19)8-4-9(14)10(15)5-11(8)16/h4-5,7H,2-3,6,17H2,1H3,(H,18,19)
InChIKeyPTEJZEQTNZBAKV-UHFFFAOYSA-N
MW380.18 g/mol
LogP2.43
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide (PubChem CID 119573143) has the molecular formula C13H15F2IN2O and a molecular weight of 380.18 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
PubChem CID119573143
Molecular FormulaC13H15F2IN2O
Molecular Weight380.18 g/mol
Exact Mass380.02
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
SMILESCC(CN)(NC(=O)c1cc(F)c(F)cc1I)C1CC1
InChIInChI=1S/C13H15F2IN2O/c1-13(6-17,7-2-3-7)18-12(19)8-4-9(14)10(15)5-11(8)16/h4-5,7H,2-3,6,17H2,1H3,(H,18,19)
InChIKeyPTEJZEQTNZBAKV-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide (CID 119573143) is N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide is CC(CN)(NC(=O)c1cc(F)c(F)cc1I)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide?
The InChIKey is PTEJZEQTNZBAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2IN2O/c1-13(6-17,7-2-3-7)18-12(19)8-4-9(14)10(15)5-11(8)16/h4-5,7H,2-3,6,17H2,1H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide has a molecular weight of 380.18 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide is sourced from PubChem (CID 119573143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).