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

C14H10F2INO — CID 60739464

IUPACN-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(I)cc1
InChIInChI=1S/C14H10F2INO/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(17)6-3-9/h1-7H,8H2,(H,18,19)
InChIKeyHPVPDVRLPXPDFB-UHFFFAOYSA-N
MW373.14 g/mol
LogP3.50
Rot. Bonds3

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

N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide (PubChem CID 60739464) has the molecular formula C14H10F2INO and a molecular weight of 373.14 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
PubChem CID60739464
Molecular FormulaC14H10F2INO
Molecular Weight373.14 g/mol
Exact Mass372.98
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(I)cc1
InChIInChI=1S/C14H10F2INO/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(17)6-3-9/h1-7H,8H2,(H,18,19)
InChIKeyHPVPDVRLPXPDFB-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.14
LogP ≤ 53.50
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-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627623
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide (CID 60739464) is N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide is O=C(NCc1ccc(F)cc1F)c1ccc(I)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide?
The InChIKey is HPVPDVRLPXPDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(17)6-3-9/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide?
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide has a molecular weight of 373.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide is sourced from PubChem (CID 60739464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).