3-chloro-4-iodo-N-methoxybenzamide

C8H7ClINO2 — CID 103734914

IUPAC3-chloro-4-iodo-N-methoxybenzamide
SMILESCONC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H7ClINO2/c1-13-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChIKeySJWOSNFJXSYJAE-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.24
Rot. Bonds2

About 3-chloro-4-iodo-N-methoxybenzamide

3-chloro-4-iodo-N-methoxybenzamide (PubChem CID 103734914) has the molecular formula C8H7ClINO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methoxybenzamide
PubChem CID103734914
Molecular FormulaC8H7ClINO2
Molecular Weight311.51 g/mol
Exact Mass310.92
IUPAC Name3-chloro-4-iodo-N-methoxybenzamide
SMILESCONC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H7ClINO2/c1-13-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12)
InChIKeySJWOSNFJXSYJAE-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbutanoate
CID 113251860
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
3-chloro-4-iodobenzamide
CID 94675118
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
CID 106182456
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
3-chloro-4-iodobenzoic acid
CID 18953341
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methoxybenzamide?
The IUPAC name of 3-chloro-4-iodo-N-methoxybenzamide (CID 103734914) is 3-chloro-4-iodo-N-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methoxybenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methoxybenzamide is CONC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-methoxybenzamide?
The InChIKey is SJWOSNFJXSYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO2/c1-13-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,1H3,(H,11,12).
What are the key properties of 3-chloro-4-iodo-N-methoxybenzamide?
3-chloro-4-iodo-N-methoxybenzamide has a molecular weight of 311.51 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methoxybenzamide is sourced from PubChem (CID 103734914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).