2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide

C11H13I2NO4 — CID 61233992

IUPAC2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
SMILESO=C(c1cc(I)cc(I)c1O)N(CCO)CCO
InChIInChI=1S/C11H13I2NO4/c12-7-5-8(10(17)9(13)6-7)11(18)14(1-3-15)2-4-16/h5-6,15-17H,1-4H2
InChIKeyLAOJVMHURCUYRD-UHFFFAOYSA-N
MW477.04 g/mol
LogP1.03
Rot. Bonds5

About 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide

2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide (PubChem CID 61233992) has the molecular formula C11H13I2NO4 and a molecular weight of 477.04 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
PubChem CID61233992
Molecular FormulaC11H13I2NO4
Molecular Weight477.04 g/mol
Exact Mass476.89
IUPAC Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
SMILESO=C(c1cc(I)cc(I)c1O)N(CCO)CCO
InChIInChI=1S/C11H13I2NO4/c12-7-5-8(10(17)9(13)6-7)11(18)14(1-3-15)2-4-16/h5-6,15-17H,1-4H2
InChIKeyLAOJVMHURCUYRD-UHFFFAOYSA-N
XLogP1.03
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.04
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl-(2-hydroxy-3,5-diiodobenzoyl)amino]acetic acid
CID 79265847
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
CID 93041920
N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
copper 2,4,6-triiodophenol
CID 54602337
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
[3-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyphenyl] cyanate
CID 143324788

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide (CID 61233992) is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide is O=C(c1cc(I)cc(I)c1O)N(CCO)CCO.
What is the InChIKey of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide?
The InChIKey is LAOJVMHURCUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2NO4/c12-7-5-8(10(17)9(13)6-7)11(18)14(1-3-15)2-4-16/h5-6,15-17H,1-4H2.
What are the key properties of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide?
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide has a molecular weight of 477.04 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide is sourced from PubChem (CID 61233992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).