2-cyclopropyl-N-(3-iodophenyl)propanamide

C12H14INO — CID 79507143

IUPAC2-cyclopropyl-N-(3-iodophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(I)c1)C1CC1
InChIInChI=1S/C12H14INO/c1-8(9-5-6-9)12(15)14-11-4-2-3-10(13)7-11/h2-4,7-9H,5-6H2,1H3,(H,14,15)
InChIKeyJLOVAZITZKAFHA-UHFFFAOYSA-N
MW315.15 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclopropyl-N-(3-iodophenyl)propanamide

2-cyclopropyl-N-(3-iodophenyl)propanamide (PubChem CID 79507143) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-iodophenyl)propanamide
PubChem CID79507143
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name2-cyclopropyl-N-(3-iodophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(I)c1)C1CC1
InChIInChI=1S/C12H14INO/c1-8(9-5-6-9)12(15)14-11-4-2-3-10(13)7-11/h2-4,7-9H,5-6H2,1H3,(H,14,15)
InChIKeyJLOVAZITZKAFHA-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-iodophenyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(3-iodophenyl)propanamide (CID 79507143) is 2-cyclopropyl-N-(3-iodophenyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-iodophenyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(3-iodophenyl)propanamide is CC(C(=O)Nc1cccc(I)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-iodophenyl)propanamide?
The InChIKey is JLOVAZITZKAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-8(9-5-6-9)12(15)14-11-4-2-3-10(13)7-11/h2-4,7-9H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-N-(3-iodophenyl)propanamide?
2-cyclopropyl-N-(3-iodophenyl)propanamide has a molecular weight of 315.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 79507143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).