2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C20H16IN3O4 — CID 55901382

IUPAC2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C20H16IN3O4/c21-19-9-6-16(24(26)27)11-18(19)20(25)23-12-14-4-7-17(8-5-14)28-13-15-3-1-2-10-22-15/h1-11H,12-13H2,(H,23,25)
InChIKeyOBTWRKBDDJFNED-UHFFFAOYSA-N
MW489.27 g/mol
LogP4.10
Rot. Bonds7

About 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55901382) has the molecular formula C20H16IN3O4 and a molecular weight of 489.27 g/mol. Its IUPAC name is 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55901382
Molecular FormulaC20H16IN3O4
Molecular Weight489.27 g/mol
Exact Mass489.02
IUPAC Name2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C20H16IN3O4/c21-19-9-6-16(24(26)27)11-18(19)20(25)23-12-14-4-7-17(8-5-14)28-13-15-3-1-2-10-22-15/h1-11H,12-13H2,(H,23,25)
InChIKeyOBTWRKBDDJFNED-UHFFFAOYSA-N
XLogP4.10
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(dimethylamino)-5-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55785970
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
5-bromo-2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 60535857
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 55901382) is 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is OBTWRKBDDJFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O4/c21-19-9-6-16(24(26)27)11-18(19)20(25)23-12-14-4-7-17(8-5-14)28-13-15-3-1-2-10-22-15/h1-11H,12-13H2,(H,23,25).
What are the key properties of 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 489.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55901382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).