3-(4-amino-2-iodoanilino)-N-methylpropanamide

C10H14IN3O — CID 66092939

IUPAC3-(4-amino-2-iodoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(N)cc1I
InChIInChI=1S/C10H14IN3O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5,12H2,1H3,(H,13,15)
InChIKeyBWQWHCXVVTVYTA-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.42
Rot. Bonds4

About 3-(4-amino-2-iodoanilino)-N-methylpropanamide

3-(4-amino-2-iodoanilino)-N-methylpropanamide (PubChem CID 66092939) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-(4-amino-2-iodoanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-iodoanilino)-N-methylpropanamide
PubChem CID66092939
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name3-(4-amino-2-iodoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(N)cc1I
InChIInChI=1S/C10H14IN3O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5,12H2,1H3,(H,13,15)
InChIKeyBWQWHCXVVTVYTA-UHFFFAOYSA-N
XLogP1.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.42
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

3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
CID 113293139
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
CID 79896218
3-(4-amino-2-iodoanilino)propane-1-sulfonamide
CID 66093146
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
3-(4-amino-2-methylanilino)propanoate
CID 23104650
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-iodoanilino)-N-methylpropanamide?
The IUPAC name of 3-(4-amino-2-iodoanilino)-N-methylpropanamide (CID 66092939) is 3-(4-amino-2-iodoanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(4-amino-2-iodoanilino)-N-methylpropanamide?
The canonical SMILES for 3-(4-amino-2-iodoanilino)-N-methylpropanamide is CNC(=O)CCNc1ccc(N)cc1I.
What is the InChIKey of 3-(4-amino-2-iodoanilino)-N-methylpropanamide?
The InChIKey is BWQWHCXVVTVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5,12H2,1H3,(H,13,15).
What are the key properties of 3-(4-amino-2-iodoanilino)-N-methylpropanamide?
3-(4-amino-2-iodoanilino)-N-methylpropanamide has a molecular weight of 319.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-iodoanilino)-N-methylpropanamide is sourced from PubChem (CID 66092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).