N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide

C14H9F2IN2O4 — CID 38902692

IUPACN-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H9F2IN2O4/c15-14(16)23-10-4-1-8(2-5-10)18-13(20)11-7-9(19(21)22)3-6-12(11)17/h1-7,14H,(H,18,20)
InChIKeyJKEVWQJLQBGVIU-UHFFFAOYSA-N
MW434.14 g/mol
LogP4.05
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide

N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide (PubChem CID 38902692) has the molecular formula C14H9F2IN2O4 and a molecular weight of 434.14 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
PubChem CID38902692
Molecular FormulaC14H9F2IN2O4
Molecular Weight434.14 g/mol
Exact Mass433.96
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H9F2IN2O4/c15-14(16)23-10-4-1-8(2-5-10)18-13(20)11-7-9(19(21)22)3-6-12(11)17/h1-7,14H,(H,18,20)
InChIKeyJKEVWQJLQBGVIU-UHFFFAOYSA-N
XLogP4.05
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[4-(difluoromethoxy)phenyl]-2,4-dinitrobenzamide
CID 2315816
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
N-[4-(difluoromethoxy)phenyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102127
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-iodo-5-nitrobenzamide
CID 55684577
[4-[[4-(difluoromethoxy)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 26800950
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide (CID 38902692) is N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide is O=C(Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide?
The InChIKey is JKEVWQJLQBGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IN2O4/c15-14(16)23-10-4-1-8(2-5-10)18-13(20)11-7-9(19(21)22)3-6-12(11)17/h1-7,14H,(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide?
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide has a molecular weight of 434.14 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 38902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).