N-[2-(4-iodophenyl)ethyl]formamide

C9H10INO — CID 87658292

IUPACN-[2-(4-iodophenyl)ethyl]formamide
SMILESO=CNCCc1ccc(I)cc1
InChIInChI=1S/C9H10INO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12)
InChIKeyBUDVDTVNPKDQQS-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(4-iodophenyl)ethyl]formamide

N-[2-(4-iodophenyl)ethyl]formamide (PubChem CID 87658292) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)ethyl]formamide
PubChem CID87658292
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC NameN-[2-(4-iodophenyl)ethyl]formamide
SMILESO=CNCCc1ccc(I)cc1
InChIInChI=1S/C9H10INO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12)
InChIKeyBUDVDTVNPKDQQS-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
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N-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
CID 145433545
3,4-dihydro-1H-isoquinoline-2-carbaldehyde;methanol;N-(2-phenylethyl)formamide;1,2,3,4-tetrahydronaphthalene
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CID 155601608
CID 155601608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)ethyl]formamide?
The IUPAC name of N-[2-(4-iodophenyl)ethyl]formamide (CID 87658292) is N-[2-(4-iodophenyl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-iodophenyl)ethyl]formamide?
The canonical SMILES for N-[2-(4-iodophenyl)ethyl]formamide is O=CNCCc1ccc(I)cc1.
What is the InChIKey of N-[2-(4-iodophenyl)ethyl]formamide?
The InChIKey is BUDVDTVNPKDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12).
What are the key properties of N-[2-(4-iodophenyl)ethyl]formamide?
N-[2-(4-iodophenyl)ethyl]formamide has a molecular weight of 275.09 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)ethyl]formamide is sourced from PubChem (CID 87658292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).