4-iodo-2-nitro-N-propylbenzamide

C10H11IN2O3 — CID 103517400

IUPAC4-iodo-2-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11IN2O3/c1-2-5-12-10(14)8-4-3-7(11)6-9(8)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyJYYCSRKVSGQBSP-UHFFFAOYSA-N
MW334.11 g/mol
LogP2.34
Rot. Bonds4

About 4-iodo-2-nitro-N-propylbenzamide

4-iodo-2-nitro-N-propylbenzamide (PubChem CID 103517400) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is 4-iodo-2-nitro-N-propylbenzamide.

Molecular Properties

Compound Name4-iodo-2-nitro-N-propylbenzamide
PubChem CID103517400
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name4-iodo-2-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11IN2O3/c1-2-5-12-10(14)8-4-3-7(11)6-9(8)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14)
InChIKeyJYYCSRKVSGQBSP-UHFFFAOYSA-N
XLogP2.34
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-nitro-N-propylbenzamide?
The IUPAC name of 4-iodo-2-nitro-N-propylbenzamide (CID 103517400) is 4-iodo-2-nitro-N-propylbenzamide.
What is the SMILES notation for 4-iodo-2-nitro-N-propylbenzamide?
The canonical SMILES for 4-iodo-2-nitro-N-propylbenzamide is CCCNC(=O)c1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 4-iodo-2-nitro-N-propylbenzamide?
The InChIKey is JYYCSRKVSGQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c1-2-5-12-10(14)8-4-3-7(11)6-9(8)13(15)16/h3-4,6H,2,5H2,1H3,(H,12,14).
What are the key properties of 4-iodo-2-nitro-N-propylbenzamide?
4-iodo-2-nitro-N-propylbenzamide has a molecular weight of 334.11 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-nitro-N-propylbenzamide is sourced from PubChem (CID 103517400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).