2,4-dihydroxy-N-(3-iodopropyl)benzamide

C10H12INO3 — CID 107726207

IUPAC2,4-dihydroxy-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(O)cc1O
InChIInChI=1S/C10H12INO3/c11-4-1-5-12-10(15)8-3-2-7(13)6-9(8)14/h2-3,6,13-14H,1,4-5H2,(H,12,15)
InChIKeyJFTPFDJWHMYFRU-UHFFFAOYSA-N
MW321.11 g/mol
LogP1.65
Rot. Bonds4

About 2,4-dihydroxy-N-(3-iodopropyl)benzamide

2,4-dihydroxy-N-(3-iodopropyl)benzamide (PubChem CID 107726207) has the molecular formula C10H12INO3 and a molecular weight of 321.11 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(3-iodopropyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(3-iodopropyl)benzamide
PubChem CID107726207
Molecular FormulaC10H12INO3
Molecular Weight321.11 g/mol
Exact Mass320.99
IUPAC Name2,4-dihydroxy-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(O)cc1O
InChIInChI=1S/C10H12INO3/c11-4-1-5-12-10(15)8-3-2-7(13)6-9(8)14/h2-3,6,13-14H,1,4-5H2,(H,12,15)
InChIKeyJFTPFDJWHMYFRU-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
CID 16796144
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
N-[2-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600070
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
1-[(2,4-dihydroxybenzoyl)amino]-3-octadecylurea
CID 57158847

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(3-iodopropyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(3-iodopropyl)benzamide (CID 107726207) is 2,4-dihydroxy-N-(3-iodopropyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(3-iodopropyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(3-iodopropyl)benzamide is O=C(NCCCI)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(3-iodopropyl)benzamide?
The InChIKey is JFTPFDJWHMYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3/c11-4-1-5-12-10(15)8-3-2-7(13)6-9(8)14/h2-3,6,13-14H,1,4-5H2,(H,12,15).
What are the key properties of 2,4-dihydroxy-N-(3-iodopropyl)benzamide?
2,4-dihydroxy-N-(3-iodopropyl)benzamide has a molecular weight of 321.11 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(3-iodopropyl)benzamide is sourced from PubChem (CID 107726207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).