N-cyclopropyl-2-(4-iodoanilino)propanamide

C12H15IN2O — CID 43086001

IUPACN-cyclopropyl-2-(4-iodoanilino)propanamide
SMILESCC(Nc1ccc(I)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H15IN2O/c1-8(12(16)15-11-6-7-11)14-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)
InChIKeyFZOJBUDDARFHAW-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.37
Rot. Bonds4

About N-cyclopropyl-2-(4-iodoanilino)propanamide

N-cyclopropyl-2-(4-iodoanilino)propanamide (PubChem CID 43086001) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-iodoanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-iodoanilino)propanamide
PubChem CID43086001
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC NameN-cyclopropyl-2-(4-iodoanilino)propanamide
SMILESCC(Nc1ccc(I)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H15IN2O/c1-8(12(16)15-11-6-7-11)14-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)
InChIKeyFZOJBUDDARFHAW-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-iodoanilino)propanamide
CID 9431005
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
CID 47145467
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
CID 43085917
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-iodoanilino)propanamide?
The IUPAC name of N-cyclopropyl-2-(4-iodoanilino)propanamide (CID 43086001) is N-cyclopropyl-2-(4-iodoanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-iodoanilino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(4-iodoanilino)propanamide is CC(Nc1ccc(I)cc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-iodoanilino)propanamide?
The InChIKey is FZOJBUDDARFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-8(12(16)15-11-6-7-11)14-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-(4-iodoanilino)propanamide?
N-cyclopropyl-2-(4-iodoanilino)propanamide has a molecular weight of 330.17 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-iodoanilino)propanamide is sourced from PubChem (CID 43086001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).