5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide

C14H10F2INO — CID 58922344

IUPAC5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide
SMILESCc1c(I)cc(-c2ccc(F)cc2F)cc1C(N)=O
InChIInChI=1S/C14H10F2INO/c1-7-11(14(18)19)4-8(5-13(7)17)10-3-2-9(15)6-12(10)16/h2-6H,1H3,(H2,18,19)
InChIKeyBRMVKSOXTXQJQC-UHFFFAOYSA-N
MW373.14 g/mol
LogP3.64
Rot. Bonds2

About 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide

5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide (PubChem CID 58922344) has the molecular formula C14H10F2INO and a molecular weight of 373.14 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide
PubChem CID58922344
Molecular FormulaC14H10F2INO
Molecular Weight373.14 g/mol
Exact Mass372.98
IUPAC Name5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide
SMILESCc1c(I)cc(-c2ccc(F)cc2F)cc1C(N)=O
InChIInChI=1S/C14H10F2INO/c1-7-11(14(18)19)4-8(5-13(7)17)10-3-2-9(15)6-12(10)16/h2-6H,1H3,(H2,18,19)
InChIKeyBRMVKSOXTXQJQC-UHFFFAOYSA-N
XLogP3.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.14
LogP ≤ 53.64
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

5-(2,4-difluorophenyl)-3-iodo-2-methylbenzoic acid;5-(2,4-difluorophenyl)-3-iodo-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
CID 158262116
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid
CID 11419087
tert-butyl 4-[(Z)-1-[3-carbamoyl-5-(2,4-difluorophenyl)-2-methylphenyl]prop-1-enyl]piperidine-1-carboxylate
CID 71048922
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 123993310
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
4-fluoro-2-(3-fluoro-4-methylphenyl)benzamide
CID 69129277
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
5-(2,4-difluorophenyl)benzene-1,3-diol
CID 171771394
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide?
The IUPAC name of 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide (CID 58922344) is 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide is Cc1c(I)cc(-c2ccc(F)cc2F)cc1C(N)=O.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide?
The InChIKey is BRMVKSOXTXQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO/c1-7-11(14(18)19)4-8(5-13(7)17)10-3-2-9(15)6-12(10)16/h2-6H,1H3,(H2,18,19).
What are the key properties of 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide?
5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide has a molecular weight of 373.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide is sourced from PubChem (CID 58922344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).