2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide

C11H14IN3O — CID 66066860

IUPAC2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
SMILESNc1cc(I)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C11H14IN3O/c12-7-1-4-10(9(13)5-7)14-6-11(16)15-8-2-3-8/h1,4-5,8,14H,2-3,6,13H2,(H,15,16)
InChIKeyKESYQGQYIDVZNL-UHFFFAOYSA-N
MW331.16 g/mol
LogP1.56
Rot. Bonds4

About 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide

2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide (PubChem CID 66066860) has the molecular formula C11H14IN3O and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
PubChem CID66066860
Molecular FormulaC11H14IN3O
Molecular Weight331.16 g/mol
Exact Mass331.02
IUPAC Name2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
SMILESNc1cc(I)ccc1NCC(=O)NC1CC1
InChIInChI=1S/C11H14IN3O/c12-7-1-4-10(9(13)5-7)14-6-11(16)15-8-2-3-8/h1,4-5,8,14H,2-3,6,13H2,(H,15,16)
InChIKeyKESYQGQYIDVZNL-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
methyl 5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 61305550
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 106949064
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide (CID 66066860) is 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide is Nc1cc(I)ccc1NCC(=O)NC1CC1.
What is the InChIKey of 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide?
The InChIKey is KESYQGQYIDVZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O/c12-7-1-4-10(9(13)5-7)14-6-11(16)15-8-2-3-8/h1,4-5,8,14H,2-3,6,13H2,(H,15,16).
What are the key properties of 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide?
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide has a molecular weight of 331.16 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 66066860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).