(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone

C14H11F2NO — CID 116581444

IUPAC(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11F2NO/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3
InChIKeyNGYSFWJFOYFIPO-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.09
Rot. Bonds2

About (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone

(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 116581444) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
PubChem CID116581444
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11F2NO/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3
InChIKeyNGYSFWJFOYFIPO-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 62615626
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
2-[1-(4-fluorophenyl)ethenyl]-4-methylaniline
CID 164673159
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone (CID 116581444) is (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone is Cc1ccc(N)c(C(=O)c2cc(F)cc(F)c2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is NGYSFWJFOYFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone?
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)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 (2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 116581444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).