(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone

C14H11F2NO — CID 116548682

IUPAC(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(N)c2)c1F
InChIInChI=1S/C14H11F2NO/c1-8-5-6-11(15)12(13(8)16)14(18)9-3-2-4-10(17)7-9/h2-7H,17H2,1H3
InChIKeyKOHWZVUOUDSUJH-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.09
Rot. Bonds2

About (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone

(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 116548682) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID116548682
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(N)c2)c1F
InChIInChI=1S/C14H11F2NO/c1-8-5-6-11(15)12(13(8)16)14(18)9-3-2-4-10(17)7-9/h2-7H,17H2,1H3
InChIKeyKOHWZVUOUDSUJH-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115814484
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone (CID 116548682) is (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cccc(N)c2)c1F.
What is the InChIKey of (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is KOHWZVUOUDSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-8-5-6-11(15)12(13(8)16)14(18)9-3-2-4-10(17)7-9/h2-7H,17H2,1H3.
What are the key properties of (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 247.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 116548682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).