N-(3-chloro-4-iodophenyl)formamide

C7H5ClINO — CID 168651125

IUPACN-(3-chloro-4-iodophenyl)formamide
SMILESO=CNc1ccc(I)c(Cl)c1
InChIInChI=1S/C7H5ClINO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-4H,(H,10,11)
InChIKeyAXZTYGUBDCOWFI-UHFFFAOYSA-N
MW281.48 g/mol
LogP2.51
Rot. Bonds2

About N-(3-chloro-4-iodophenyl)formamide

N-(3-chloro-4-iodophenyl)formamide (PubChem CID 168651125) has the molecular formula C7H5ClINO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(3-chloro-4-iodophenyl)formamide.

Molecular Properties

Compound NameN-(3-chloro-4-iodophenyl)formamide
PubChem CID168651125
Molecular FormulaC7H5ClINO
Molecular Weight281.48 g/mol
Exact Mass280.91
IUPAC NameN-(3-chloro-4-iodophenyl)formamide
SMILESO=CNc1ccc(I)c(Cl)c1
InChIInChI=1S/C7H5ClINO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-4H,(H,10,11)
InChIKeyAXZTYGUBDCOWFI-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-iodophenyl)formamide?
The IUPAC name of N-(3-chloro-4-iodophenyl)formamide (CID 168651125) is N-(3-chloro-4-iodophenyl)formamide.
What is the SMILES notation for N-(3-chloro-4-iodophenyl)formamide?
The canonical SMILES for N-(3-chloro-4-iodophenyl)formamide is O=CNc1ccc(I)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-iodophenyl)formamide?
The InChIKey is AXZTYGUBDCOWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-4H,(H,10,11).
What are the key properties of N-(3-chloro-4-iodophenyl)formamide?
N-(3-chloro-4-iodophenyl)formamide has a molecular weight of 281.48 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-iodophenyl)formamide is sourced from PubChem (CID 168651125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).