2-iodo-5-nitro-N,N-dipropylbenzamide

C13H17IN2O3 — CID 43317576

IUPAC2-iodo-5-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H17IN2O3/c1-3-7-15(8-4-2)13(17)11-9-10(16(18)19)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyOXPGXJUIZOTBNR-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.46
Rot. Bonds6

About 2-iodo-5-nitro-N,N-dipropylbenzamide

2-iodo-5-nitro-N,N-dipropylbenzamide (PubChem CID 43317576) has the molecular formula C13H17IN2O3 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-iodo-5-nitro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-iodo-5-nitro-N,N-dipropylbenzamide
PubChem CID43317576
Molecular FormulaC13H17IN2O3
Molecular Weight376.19 g/mol
Exact Mass376.03
IUPAC Name2-iodo-5-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H17IN2O3/c1-3-7-15(8-4-2)13(17)11-9-10(16(18)19)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyOXPGXJUIZOTBNR-UHFFFAOYSA-N
XLogP3.46
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.46
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

2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
N-ethyl-2-iodo-5-nitro-N-prop-2-enylbenzamide
CID 78983279
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
ethyl 2-[ethyl-(2-iodo-5-nitrobenzoyl)amino]acetate
CID 61073740
N-(2-cyanoethyl)-2-iodo-N-(2-methoxyethyl)-5-nitrobenzamide
CID 63286091
2-(dimethylamino)-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 110878707
1-(2-iodo-5-nitrophenyl)propan-1-one
CID 118824443
N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
CID 115611523
N-butan-2-yl-2-iodo-N-(2-methoxyethyl)-5-nitrobenzamide
CID 60793265
2-iodo-5-nitrobenzoic acid
CID 3848745
N-(2-cyanoethyl)-2-iodo-5-nitro-N-propan-2-ylbenzamide
CID 61040915

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N,N-dipropylbenzamide?
The IUPAC name of 2-iodo-5-nitro-N,N-dipropylbenzamide (CID 43317576) is 2-iodo-5-nitro-N,N-dipropylbenzamide.
What is the SMILES notation for 2-iodo-5-nitro-N,N-dipropylbenzamide?
The canonical SMILES for 2-iodo-5-nitro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-5-nitro-N,N-dipropylbenzamide?
The InChIKey is OXPGXJUIZOTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O3/c1-3-7-15(8-4-2)13(17)11-9-10(16(18)19)5-6-12(11)14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-iodo-5-nitro-N,N-dipropylbenzamide?
2-iodo-5-nitro-N,N-dipropylbenzamide has a molecular weight of 376.19 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N,N-dipropylbenzamide is sourced from PubChem (CID 43317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).