N,N-diethyl-3,5-diiodobenzamide

C11H13I2NO — CID 66651843

IUPACN,N-diethyl-3,5-diiodobenzamide
SMILESCCN(CC)C(=O)c1cc(I)cc(I)c1
InChIInChI=1S/C11H13I2NO/c1-3-14(4-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3
InChIKeyYTLMPHWSNGRZOP-UHFFFAOYSA-N
MW429.04 g/mol
LogP3.38
Rot. Bonds3

About N,N-diethyl-3,5-diiodobenzamide

N,N-diethyl-3,5-diiodobenzamide (PubChem CID 66651843) has the molecular formula C11H13I2NO and a molecular weight of 429.04 g/mol. Its IUPAC name is N,N-diethyl-3,5-diiodobenzamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-diiodobenzamide
PubChem CID66651843
Molecular FormulaC11H13I2NO
Molecular Weight429.04 g/mol
Exact Mass428.91
IUPAC NameN,N-diethyl-3,5-diiodobenzamide
SMILESCCN(CC)C(=O)c1cc(I)cc(I)c1
InChIInChI=1S/C11H13I2NO/c1-3-14(4-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3
InChIKeyYTLMPHWSNGRZOP-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.04
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide
CID 22831856
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
CID 174412487
CID 174412487
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
CID 67216621
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
CID 59369544
CID 59369544
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide
CID 24834339

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-diiodobenzamide?
The IUPAC name of N,N-diethyl-3,5-diiodobenzamide (CID 66651843) is N,N-diethyl-3,5-diiodobenzamide.
What is the SMILES notation for N,N-diethyl-3,5-diiodobenzamide?
The canonical SMILES for N,N-diethyl-3,5-diiodobenzamide is CCN(CC)C(=O)c1cc(I)cc(I)c1.
What is the InChIKey of N,N-diethyl-3,5-diiodobenzamide?
The InChIKey is YTLMPHWSNGRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2NO/c1-3-14(4-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,5-diiodobenzamide?
N,N-diethyl-3,5-diiodobenzamide has a molecular weight of 429.04 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-diiodobenzamide is sourced from PubChem (CID 66651843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).