N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide

C14H10F3NOS — CID 107030046

IUPACN-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(S)ccc1F
InChIInChI=1S/C14H10F3NOS/c15-9-1-3-12(16)8(5-9)7-18-14(19)11-6-10(20)2-4-13(11)17/h1-6,20H,7H2,(H,18,19)
InChIKeyIYFOYJVLQYEAQT-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.32
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide

N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide (PubChem CID 107030046) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
PubChem CID107030046
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(S)ccc1F
InChIInChI=1S/C14H10F3NOS/c15-9-1-3-12(16)8(5-9)7-18-14(19)11-6-10(20)2-4-13(11)17/h1-6,20H,7H2,(H,18,19)
InChIKeyIYFOYJVLQYEAQT-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(4-ethylphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037277
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide (CID 107030046) is N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide is O=C(NCc1cc(F)ccc1F)c1cc(S)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
The InChIKey is IYFOYJVLQYEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-9-1-3-12(16)8(5-9)7-18-14(19)11-6-10(20)2-4-13(11)17/h1-6,20H,7H2,(H,18,19).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide?
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide has a molecular weight of 297.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107030046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).