N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide

C14H8ClF3INO — CID 121454119

IUPACN-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1Cl)c1cccc(I)c1
InChIInChI=1S/C14H8ClF3INO/c15-12-10(14(16,17)18)5-2-6-11(12)20-13(21)8-3-1-4-9(19)7-8/h1-7H,(H,20,21)
InChIKeySPQVPWOAFJWXMB-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.22
Rot. Bonds2

About N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide

N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide (PubChem CID 121454119) has the molecular formula C14H8ClF3INO and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
PubChem CID121454119
Molecular FormulaC14H8ClF3INO
Molecular Weight425.58 g/mol
Exact Mass424.93
IUPAC NameN-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1Cl)c1cccc(I)c1
InChIInChI=1S/C14H8ClF3INO/c15-12-10(14(16,17)18)5-2-6-11(12)20-13(21)8-3-1-4-9(19)7-8/h1-7H,(H,20,21)
InChIKeySPQVPWOAFJWXMB-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 59381869
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide (CID 121454119) is N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide is O=C(Nc1cccc(C(F)(F)F)c1Cl)c1cccc(I)c1.
What is the InChIKey of N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide?
The InChIKey is SPQVPWOAFJWXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3INO/c15-12-10(14(16,17)18)5-2-6-11(12)20-13(21)8-3-1-4-9(19)7-8/h1-7H,(H,20,21).
What are the key properties of N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide?
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide has a molecular weight of 425.58 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 121454119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).