N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide

C12H15IN2O — CID 61488566

IUPACN-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
SMILESCN(C(=O)CNc1ccccc1I)C1CC1
InChIInChI=1S/C12H15IN2O/c1-15(9-6-7-9)12(16)8-14-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3
InChIKeyLFKNJJNWJHPNFJ-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.32
Rot. Bonds4

About N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide

N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide (PubChem CID 61488566) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
PubChem CID61488566
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC NameN-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
SMILESCN(C(=O)CNc1ccccc1I)C1CC1
InChIInChI=1S/C12H15IN2O/c1-15(9-6-7-9)12(16)8-14-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3
InChIKeyLFKNJJNWJHPNFJ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 78820382
N-cyclopropyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 62327514
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
N-cyclohexyl-2-(4-iodoanilino)-N-methylacetamide
CID 54812377
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54846395
N-cyclopropyl-2-[(2-ethylphenyl)methylamino]-N-methylacetamide
CID 64680743

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide (CID 61488566) is N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide is CN(C(=O)CNc1ccccc1I)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide?
The InChIKey is LFKNJJNWJHPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-15(9-6-7-9)12(16)8-14-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3.
What are the key properties of N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide?
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide has a molecular weight of 330.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide is sourced from PubChem (CID 61488566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).