N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide

C14H10F2INO2 — CID 104627623

IUPACN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(I)c(O)c1
InChIInChI=1S/C14H10F2INO2/c15-10-3-1-9(11(16)6-10)7-18-14(20)8-2-4-12(17)13(19)5-8/h1-6,19H,7H2,(H,18,20)
InChIKeyGNUTVJJOAMLVRY-UHFFFAOYSA-N
MW389.14 g/mol
LogP3.20
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide

N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide (PubChem CID 104627623) has the molecular formula C14H10F2INO2 and a molecular weight of 389.14 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
PubChem CID104627623
Molecular FormulaC14H10F2INO2
Molecular Weight389.14 g/mol
Exact Mass388.97
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(I)c(O)c1
InChIInChI=1S/C14H10F2INO2/c15-10-3-1-9(11(16)6-10)7-18-14(20)8-2-4-12(17)13(19)5-8/h1-6,19H,7H2,(H,18,20)
InChIKeyGNUTVJJOAMLVRY-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.14
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
CID 103222099
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627344
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide (CID 104627623) is N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide is O=C(NCc1ccc(F)cc1F)c1ccc(I)c(O)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is GNUTVJJOAMLVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO2/c15-10-3-1-9(11(16)6-10)7-18-14(20)8-2-4-12(17)13(19)5-8/h1-6,19H,7H2,(H,18,20).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide?
N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 389.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).