N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide

C10H10ClIN2O3 — CID 107261187

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H10ClIN2O3/c11-5-1-2-7(12)6(3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyXDOSLPFDLCPMCN-UHFFFAOYSA-N
MW368.56 g/mol
LogP0.52
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide (PubChem CID 107261187) has the molecular formula C10H10ClIN2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
PubChem CID107261187
Molecular FormulaC10H10ClIN2O3
Molecular Weight368.56 g/mol
Exact Mass367.94
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H10ClIN2O3/c11-5-1-2-7(12)6(3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyXDOSLPFDLCPMCN-UHFFFAOYSA-N
XLogP0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
CID 103896306
N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
CID 114168869
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide (CID 107261187) is N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide is NC(=O)C(O)CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide?
The InChIKey is XDOSLPFDLCPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O3/c11-5-1-2-7(12)6(3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide has a molecular weight of 368.56 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 107261187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).