N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide

C13H16INO — CID 114504381

IUPACN-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCI)C1(c2ccccc2)CC1
InChIInChI=1S/C13H16INO/c14-9-4-10-15-12(16)13(7-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)
InChIKeyOQLCKKYBMWYLNE-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.66
Rot. Bonds5

About N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide

N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 114504381) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID114504381
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC NameN-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCCI)C1(c2ccccc2)CC1
InChIInChI=1S/C13H16INO/c14-9-4-10-15-12(16)13(7-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)
InChIKeyOQLCKKYBMWYLNE-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
CID 55128695
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide (CID 114504381) is N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide is O=C(NCCCI)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is OQLCKKYBMWYLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c14-9-4-10-15-12(16)13(7-8-13)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16).
What are the key properties of N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide?
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 114504381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).