N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide

C13H18INO3 — CID 22831856

IUPACN,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(I)c(OCOC)c1
InChIInChI=1S/C13H18INO3/c1-4-15(5-2)13(16)10-6-7-11(14)12(8-10)18-9-17-3/h6-8H,4-5,9H2,1-3H3
InChIKeyBNFRJOCLPZSUIJ-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.76
Rot. Bonds6

About N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide

N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide (PubChem CID 22831856) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide
PubChem CID22831856
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC NameN,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(I)c(OCOC)c1
InChIInChI=1S/C13H18INO3/c1-4-15(5-2)13(16)10-6-7-11(14)12(8-10)18-9-17-3/h6-8H,4-5,9H2,1-3H3
InChIKeyBNFRJOCLPZSUIJ-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
CID 67216621
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
N,N-diethyl-3,5-diiodobenzamide
CID 66651843
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
4-iodo-3-propoxybenzoic acid
CID 68960644
1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene
CID 171367568
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide?
The IUPAC name of N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide (CID 22831856) is N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide.
What is the SMILES notation for N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide?
The canonical SMILES for N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide is CCN(CC)C(=O)c1ccc(I)c(OCOC)c1.
What is the InChIKey of N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide?
The InChIKey is BNFRJOCLPZSUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO3/c1-4-15(5-2)13(16)10-6-7-11(14)12(8-10)18-9-17-3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide?
N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide has a molecular weight of 363.20 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide is sourced from PubChem (CID 22831856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).