2-(4-iodoanilino)butanamide

C10H13IN2O — CID 62900403

IUPAC2-(4-iodoanilino)butanamide
SMILESCCC(Nc1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H13IN2O/c1-2-9(10(12)14)13-8-5-3-7(11)4-6-8/h3-6,9,13H,2H2,1H3,(H2,12,14)
InChIKeyVAZKPLOJMXZTPM-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-iodoanilino)butanamide

2-(4-iodoanilino)butanamide (PubChem CID 62900403) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(4-iodoanilino)butanamide.

Molecular Properties

Compound Name2-(4-iodoanilino)butanamide
PubChem CID62900403
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-(4-iodoanilino)butanamide
SMILESCCC(Nc1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H13IN2O/c1-2-9(10(12)14)13-8-5-3-7(11)4-6-8/h3-6,9,13H,2H2,1H3,(H2,12,14)
InChIKeyVAZKPLOJMXZTPM-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.97
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-(4-methoxyanilino)butanamide
CID 61005469
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
CID 56788823
2-(3-propan-2-ylanilino)butanamide
CID 62900215
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
2-(4-methylanilino)butanediamide
CID 66427556
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-anilinoheptanamide
CID 61005049
2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
CID 114283012

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)butanamide?
The IUPAC name of 2-(4-iodoanilino)butanamide (CID 62900403) is 2-(4-iodoanilino)butanamide.
What is the SMILES notation for 2-(4-iodoanilino)butanamide?
The canonical SMILES for 2-(4-iodoanilino)butanamide is CCC(Nc1ccc(I)cc1)C(N)=O.
What is the InChIKey of 2-(4-iodoanilino)butanamide?
The InChIKey is VAZKPLOJMXZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-2-9(10(12)14)13-8-5-3-7(11)4-6-8/h3-6,9,13H,2H2,1H3,(H2,12,14).
What are the key properties of 2-(4-iodoanilino)butanamide?
2-(4-iodoanilino)butanamide has a molecular weight of 304.13 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)butanamide is sourced from PubChem (CID 62900403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).