3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide

C14H10Cl2INO2 — CID 60630083

IUPAC3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C14H10Cl2INO2/c15-9-5-11(13(17)12(16)6-9)14(20)18-10-3-1-2-8(4-10)7-19/h1-6,19H,7H2,(H,18,20)
InChIKeyAVMOXVTYWIXURZ-UHFFFAOYSA-N
MW422.05 g/mol
LogP4.34
Rot. Bonds3

About 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide

3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide (PubChem CID 60630083) has the molecular formula C14H10Cl2INO2 and a molecular weight of 422.05 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
PubChem CID60630083
Molecular FormulaC14H10Cl2INO2
Molecular Weight422.05 g/mol
Exact Mass420.91
IUPAC Name3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C14H10Cl2INO2/c15-9-5-11(13(17)12(16)6-9)14(20)18-10-3-1-2-8(4-10)7-19/h1-6,19H,7H2,(H,18,20)
InChIKeyAVMOXVTYWIXURZ-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.05
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2,3,5-triiodobenzamide
CID 60629840
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
4-[(3,5-dichloro-2-iodobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651080
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide (CID 60630083) is 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide is O=C(Nc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide?
The InChIKey is AVMOXVTYWIXURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INO2/c15-9-5-11(13(17)12(16)6-9)14(20)18-10-3-1-2-8(4-10)7-19/h1-6,19H,7H2,(H,18,20).
What are the key properties of 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide?
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide has a molecular weight of 422.05 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 60630083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).