N-cyclohexyl-2-(2-iodoanilino)acetamide

C14H19IN2O — CID 28878262

IUPACN-cyclohexyl-2-(2-iodoanilino)acetamide
SMILESO=C(CNc1ccccc1I)NC1CCCCC1
InChIInChI=1S/C14H19IN2O/c15-12-8-4-5-9-13(12)16-10-14(18)17-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,17,18)
InChIKeyZMNSIFFYQPZJAE-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.15
Rot. Bonds4

About N-cyclohexyl-2-(2-iodoanilino)acetamide

N-cyclohexyl-2-(2-iodoanilino)acetamide (PubChem CID 28878262) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-iodoanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-iodoanilino)acetamide
PubChem CID28878262
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-cyclohexyl-2-(2-iodoanilino)acetamide
SMILESO=C(CNc1ccccc1I)NC1CCCCC1
InChIInChI=1S/C14H19IN2O/c15-12-8-4-5-9-13(12)16-10-14(18)17-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,17,18)
InChIKeyZMNSIFFYQPZJAE-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-iodoanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-iodoanilino)acetamide (CID 28878262) is N-cyclohexyl-2-(2-iodoanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-iodoanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-iodoanilino)acetamide is O=C(CNc1ccccc1I)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-iodoanilino)acetamide?
The InChIKey is ZMNSIFFYQPZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c15-12-8-4-5-9-13(12)16-10-14(18)17-11-6-2-1-3-7-11/h4-5,8-9,11,16H,1-3,6-7,10H2,(H,17,18).
What are the key properties of N-cyclohexyl-2-(2-iodoanilino)acetamide?
N-cyclohexyl-2-(2-iodoanilino)acetamide has a molecular weight of 358.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-iodoanilino)acetamide is sourced from PubChem (CID 28878262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).