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

C13H17F2IN2O — CID 119586236

IUPACN-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(F)c(F)cc1I
InChIInChI=1S/C13H17F2IN2O/c1-7(2)3-8(6-17)18-13(19)9-4-10(14)11(15)5-12(9)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19)
InChIKeyJEGZCTZYSLQMEB-UHFFFAOYSA-N
MW382.19 g/mol
LogP2.67
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide (PubChem CID 119586236) has the molecular formula C13H17F2IN2O and a molecular weight of 382.19 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
PubChem CID119586236
Molecular FormulaC13H17F2IN2O
Molecular Weight382.19 g/mol
Exact Mass382.04
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(F)c(F)cc1I
InChIInChI=1S/C13H17F2IN2O/c1-7(2)3-8(6-17)18-13(19)9-4-10(14)11(15)5-12(9)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19)
InChIKeyJEGZCTZYSLQMEB-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 52.67
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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Related Compounds

(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
CID 119586604
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
CID 119598136
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide (CID 119586236) is N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide is CC(C)CC(CN)NC(=O)c1cc(F)c(F)cc1I.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide?
The InChIKey is JEGZCTZYSLQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2IN2O/c1-7(2)3-8(6-17)18-13(19)9-4-10(14)11(15)5-12(9)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide?
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide has a molecular weight of 382.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide is sourced from PubChem (CID 119586236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).