N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide

C14H10F2INO3 — CID 34273440

IUPACN-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(I)ccc1O
InChIInChI=1S/C14H10F2INO3/c15-14(16)21-10-4-2-9(3-5-10)18-13(20)11-7-8(17)1-6-12(11)19/h1-7,14,19H,(H,18,20)
InChIKeyZXVXHEYZFQEMDS-UHFFFAOYSA-N
MW405.14 g/mol
LogP3.85
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide

N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide (PubChem CID 34273440) has the molecular formula C14H10F2INO3 and a molecular weight of 405.14 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
PubChem CID34273440
Molecular FormulaC14H10F2INO3
Molecular Weight405.14 g/mol
Exact Mass404.97
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(I)ccc1O
InChIInChI=1S/C14H10F2INO3/c15-14(16)21-10-4-2-9(3-5-10)18-13(20)11-7-8(17)1-6-12(11)19/h1-7,14,19H,(H,18,20)
InChIKeyZXVXHEYZFQEMDS-UHFFFAOYSA-N
XLogP3.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.14
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
2-chloro-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 106501367
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
2-amino-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 107073991
N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731512
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
CID 38902692
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide (CID 34273440) is N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide is O=C(Nc1ccc(OC(F)F)cc1)c1cc(I)ccc1O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is ZXVXHEYZFQEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO3/c15-14(16)21-10-4-2-9(3-5-10)18-13(20)11-7-8(17)1-6-12(11)19/h1-7,14,19H,(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide?
N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 405.14 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 34273440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).