(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone

C15H13F2NO — CID 79733206

IUPAC(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C15H13F2NO/c1-8-3-4-14(18)11(5-8)15(19)10-6-9(2)12(16)7-13(10)17/h3-7H,18H2,1-2H3
InChIKeyCEKTWZWNRRDKQK-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.39
Rot. Bonds2

About (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone

(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 79733206) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID79733206
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C15H13F2NO/c1-8-3-4-14(18)11(5-8)15(19)10-6-9(2)12(16)7-13(10)17/h3-7H,18H2,1-2H3
InChIKeyCEKTWZWNRRDKQK-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.39
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

(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone (CID 79733206) is (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone is Cc1ccc(N)c(C(=O)c2cc(C)c(F)cc2F)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is CEKTWZWNRRDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-8-3-4-14(18)11(5-8)15(19)10-6-9(2)12(16)7-13(10)17/h3-7H,18H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 261.27 g/mol, XLogP of 3.39, 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)-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 79733206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).