N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide

C17H16INO — CID 175052367

IUPACN-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide
SMILESCc1ccc(I)c(N(C(=O)C2CC2)c2ccccc2)c1
InChIInChI=1S/C17H16INO/c1-12-7-10-15(18)16(11-12)19(17(20)13-8-9-13)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3
InChIKeyDVSWXRDEGPYXJV-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.67
Rot. Bonds3

About N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide

N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide (PubChem CID 175052367) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide
PubChem CID175052367
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC NameN-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide
SMILESCc1ccc(I)c(N(C(=O)C2CC2)c2ccccc2)c1
InChIInChI=1S/C17H16INO/c1-12-7-10-15(18)16(11-12)19(17(20)13-8-9-13)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3
InChIKeyDVSWXRDEGPYXJV-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide (CID 175052367) is N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide is Cc1ccc(I)c(N(C(=O)C2CC2)c2ccccc2)c1.
What is the InChIKey of N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide?
The InChIKey is DVSWXRDEGPYXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c1-12-7-10-15(18)16(11-12)19(17(20)13-8-9-13)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3.
What are the key properties of N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide?
N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide is sourced from PubChem (CID 175052367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).