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

C10H13IN2O — CID 28978404

IUPAC4-amino-N-(2-iodophenyl)butanamide
SMILESNCCCC(=O)Nc1ccccc1I
InChIInChI=1S/C10H13IN2O/c11-8-4-1-2-5-9(8)13-10(14)6-3-7-12/h1-2,4-5H,3,6-7,12H2,(H,13,14)
InChIKeyPPNXWZCKJCRQRO-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.97
Rot. Bonds4

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

4-amino-N-(2-iodophenyl)butanamide (PubChem CID 28978404) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 4-amino-N-(2-iodophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-iodophenyl)butanamide
PubChem CID28978404
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name4-amino-N-(2-iodophenyl)butanamide
SMILESNCCCC(=O)Nc1ccccc1I
InChIInChI=1S/C10H13IN2O/c11-8-4-1-2-5-9(8)13-10(14)6-3-7-12/h1-2,4-5H,3,6-7,12H2,(H,13,14)
InChIKeyPPNXWZCKJCRQRO-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

5-amino-N-(2-iodophenyl)hexanamide
CID 82848467
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-iodophenyl)butanamide?
The IUPAC name of 4-amino-N-(2-iodophenyl)butanamide (CID 28978404) is 4-amino-N-(2-iodophenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-iodophenyl)butanamide?
The canonical SMILES for 4-amino-N-(2-iodophenyl)butanamide is NCCCC(=O)Nc1ccccc1I.
What is the InChIKey of 4-amino-N-(2-iodophenyl)butanamide?
The InChIKey is PPNXWZCKJCRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-8-4-1-2-5-9(8)13-10(14)6-3-7-12/h1-2,4-5H,3,6-7,12H2,(H,13,14).
What are the key properties of 4-amino-N-(2-iodophenyl)butanamide?
4-amino-N-(2-iodophenyl)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 4-amino-N-(2-iodophenyl)butanamide is sourced from PubChem (CID 28978404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).