N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide

C10H9F2IN2O3 — CID 115611523

IUPACN-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
SMILESCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C10H9F2IN2O3/c1-14(5-9(11)12)10(16)7-4-6(15(17)18)2-3-8(7)13/h2-4,9H,5H2,1H3
InChIKeySCFPNJHQDPJNQG-UHFFFAOYSA-N
MW370.09 g/mol
LogP2.54
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide

N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide (PubChem CID 115611523) has the molecular formula C10H9F2IN2O3 and a molecular weight of 370.09 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
PubChem CID115611523
Molecular FormulaC10H9F2IN2O3
Molecular Weight370.09 g/mol
Exact Mass369.96
IUPAC NameN-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
SMILESCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C10H9F2IN2O3/c1-14(5-9(11)12)10(16)7-4-6(15(17)18)2-3-8(7)13/h2-4,9H,5H2,1H3
InChIKeySCFPNJHQDPJNQG-UHFFFAOYSA-N
XLogP2.54
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-iodo-4-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227998
2-iodo-5-nitro-N,N-dipropylbenzamide
CID 43317576
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
N-[(5-bromothiophen-3-yl)methyl]-2-iodo-N-methyl-5-nitrobenzamide
CID 61409955
2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 47163635
N-[(6-chloro-3-pyridinyl)methyl]-2-iodo-N-methyl-5-nitrobenzamide
CID 78872418
1-(2-iodo-5-nitrophenyl)propan-1-one
CID 118824443
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
2-iodo-5-nitrobenzoic acid
CID 3848745
N-(2-cyanoethyl)-2-iodo-5-nitro-N-propan-2-ylbenzamide
CID 61040915
N-ethyl-2-iodo-5-nitro-N-prop-2-enylbenzamide
CID 78983279
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-iodo-5-nitrobenzamide
CID 103108322

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide (CID 115611523) is N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide is CN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide?
The InChIKey is SCFPNJHQDPJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IN2O3/c1-14(5-9(11)12)10(16)7-4-6(15(17)18)2-3-8(7)13/h2-4,9H,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide?
N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide has a molecular weight of 370.09 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 115611523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).