N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide

C11H13ClINO2 — CID 19603082

IUPACN-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)Nc1ccc(Cl)c(I)c1
InChIInChI=1S/C11H13ClINO2/c1-6(2)10(15)11(16)14-7-3-4-8(12)9(13)5-7/h3-6,10,15H,1-2H3,(H,14,16)
InChIKeyAGGVTHCTYAGOGU-UHFFFAOYSA-N
MW353.59 g/mol
LogP2.90
Rot. Bonds3

About N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide

N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide (PubChem CID 19603082) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide
PubChem CID19603082
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC NameN-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)Nc1ccc(Cl)c(I)c1
InChIInChI=1S/C11H13ClINO2/c1-6(2)10(15)11(16)14-7-3-4-8(12)9(13)5-7/h3-6,10,15H,1-2H3,(H,14,16)
InChIKeyAGGVTHCTYAGOGU-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 52.90
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

N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
3-(3-iodo-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114897853

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide?
The IUPAC name of N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide (CID 19603082) is N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide is CC(C)C(O)C(=O)Nc1ccc(Cl)c(I)c1.
What is the InChIKey of N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide?
The InChIKey is AGGVTHCTYAGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c1-6(2)10(15)11(16)14-7-3-4-8(12)9(13)5-7/h3-6,10,15H,1-2H3,(H,14,16).
What are the key properties of N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide?
N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide has a molecular weight of 353.59 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-iodophenyl)-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 19603082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).