2-(aminomethyl)-N-(4-iodophenyl)butanamide

C11H15IN2O — CID 65225745

IUPAC2-(aminomethyl)-N-(4-iodophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyCSVJOVPJGQBJBJ-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.21
Rot. Bonds4

About 2-(aminomethyl)-N-(4-iodophenyl)butanamide

2-(aminomethyl)-N-(4-iodophenyl)butanamide (PubChem CID 65225745) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-iodophenyl)butanamide
PubChem CID65225745
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-(aminomethyl)-N-(4-iodophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyCSVJOVPJGQBJBJ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.21
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-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
2-[2-(aminomethyl)butanoylamino]-5-iodobenzoic acid
CID 65228642
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-iodophenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-iodophenyl)butanamide (CID 65225745) is 2-(aminomethyl)-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-iodophenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-iodophenyl)butanamide is CCC(CN)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-iodophenyl)butanamide?
The InChIKey is CSVJOVPJGQBJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(4-iodophenyl)butanamide?
2-(aminomethyl)-N-(4-iodophenyl)butanamide has a molecular weight of 318.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 65225745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).