N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide

C19H13FIN3O3 — CID 55889095

IUPACN-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H13FIN3O3/c20-13-4-6-15(7-5-13)23(12-14-3-1-2-10-22-14)19(25)17-11-16(24(26)27)8-9-18(17)21/h1-11H,12H2
InChIKeyZYCIPYJZLZBOGE-UHFFFAOYSA-N
MW477.23 g/mol
LogP4.58
Rot. Bonds5

About N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide

N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55889095) has the molecular formula C19H13FIN3O3 and a molecular weight of 477.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55889095
Molecular FormulaC19H13FIN3O3
Molecular Weight477.23 g/mol
Exact Mass477.00
IUPAC NameN-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H13FIN3O3/c20-13-4-6-15(7-5-13)23(12-14-3-1-2-10-22-14)19(25)17-11-16(24(26)27)8-9-18(17)21/h1-11H,12H2
InChIKeyZYCIPYJZLZBOGE-UHFFFAOYSA-N
XLogP4.58
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
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-(1,3-benzothiazol-2-yl)-2-chloro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43985956
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41047291
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 55889351
N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 51121562
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 41056122
N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732482
2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 122618117
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 41055571
N-[(4-fluorophenyl)methyl]-N-(4-iodophenyl)-3,5-dinitrobenzamide
CID 2237872

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 55889095) is N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cc([N+](=O)[O-])ccc1I)N(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ZYCIPYJZLZBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FIN3O3/c20-13-4-6-15(7-5-13)23(12-14-3-1-2-10-22-14)19(25)17-11-16(24(26)27)8-9-18(17)21/h1-11H,12H2.
What are the key properties of N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide?
N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 477.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55889095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).