N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide

C14H9ClF2INO2 — CID 103766634

IUPACN-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H9ClF2INO2/c15-9-4-5-12(11(18)7-9)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,(H,19,20)
InChIKeyQZCBBOKGALWVLH-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.80
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide

N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide (PubChem CID 103766634) has the molecular formula C14H9ClF2INO2 and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
PubChem CID103766634
Molecular FormulaC14H9ClF2INO2
Molecular Weight423.58 g/mol
Exact Mass422.93
IUPAC NameN-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H9ClF2INO2/c15-9-4-5-12(11(18)7-9)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,(H,19,20)
InChIKeyQZCBBOKGALWVLH-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide (CID 103766634) is N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide is O=C(Nc1ccc(Cl)cc1I)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is QZCBBOKGALWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2INO2/c15-9-4-5-12(11(18)7-9)19-13(20)8-2-1-3-10(6-8)21-14(16)17/h1-7,14H,(H,19,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide?
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide has a molecular weight of 423.58 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 103766634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).