2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide

C15H15IN2O2 — CID 107732038

IUPAC2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C15H15IN2O2/c1-17-9-10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)19/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyHVMACNVVVDRGDD-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.97
Rot. Bonds4

About 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide

2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 107732038) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID107732038
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C15H15IN2O2/c1-17-9-10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)19/h2-8,17,19H,9H2,1H3,(H,18,20)
InChIKeyHVMACNVVVDRGDD-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.97
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-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
2-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909836
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide (CID 107732038) is 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide is CNCc1cccc(NC(=O)c2cc(I)ccc2O)c1.
What is the InChIKey of 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is HVMACNVVVDRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-17-9-10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)19/h2-8,17,19H,9H2,1H3,(H,18,20).
What are the key properties of 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide?
2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 382.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 107732038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).