N-cyclopropyl-2-(3-iodoanilino)acetamide

C11H13IN2O — CID 28829963

IUPACN-cyclopropyl-2-(3-iodoanilino)acetamide
SMILESO=C(CNc1cccc(I)c1)NC1CC1
InChIInChI=1S/C11H13IN2O/c12-8-2-1-3-10(6-8)13-7-11(15)14-9-4-5-9/h1-3,6,9,13H,4-5,7H2,(H,14,15)
InChIKeyUVDUYHZQHJNAJF-UHFFFAOYSA-N
MW316.14 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopropyl-2-(3-iodoanilino)acetamide

N-cyclopropyl-2-(3-iodoanilino)acetamide (PubChem CID 28829963) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-iodoanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-iodoanilino)acetamide
PubChem CID28829963
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC NameN-cyclopropyl-2-(3-iodoanilino)acetamide
SMILESO=C(CNc1cccc(I)c1)NC1CC1
InChIInChI=1S/C11H13IN2O/c12-8-2-1-3-10(6-8)13-7-11(15)14-9-4-5-9/h1-3,6,9,13H,4-5,7H2,(H,14,15)
InChIKeyUVDUYHZQHJNAJF-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.98
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

2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 62924859
methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
methyl 2-(3-iodoanilino)acetate
CID 19829858
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-iodoanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-iodoanilino)acetamide (CID 28829963) is N-cyclopropyl-2-(3-iodoanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-iodoanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-iodoanilino)acetamide is O=C(CNc1cccc(I)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-iodoanilino)acetamide?
The InChIKey is UVDUYHZQHJNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c12-8-2-1-3-10(6-8)13-7-11(15)14-9-4-5-9/h1-3,6,9,13H,4-5,7H2,(H,14,15).
What are the key properties of N-cyclopropyl-2-(3-iodoanilino)acetamide?
N-cyclopropyl-2-(3-iodoanilino)acetamide has a molecular weight of 316.14 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-iodoanilino)acetamide is sourced from PubChem (CID 28829963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).