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

C16H15F2NO — CID 102707053

IUPAC(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)c(F)cc2F)cc1N
InChIInChI=1S/C16H15F2NO/c1-8-4-10(3)15(19)6-11(8)16(20)12-5-9(2)13(17)7-14(12)18/h4-7H,19H2,1-3H3
InChIKeyXJIZIONRVPKZKY-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.70
Rot. Bonds2

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

(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 102707053) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID102707053
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(C)c(F)cc2F)cc1N
InChIInChI=1S/C16H15F2NO/c1-8-4-10(3)15(19)6-11(8)16(20)12-5-9(2)13(17)7-14(12)18/h4-7H,19H2,1-3H3
InChIKeyXJIZIONRVPKZKY-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.70
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-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(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
4-fluoro-2,5-dimethylbenzamide
CID 119025196
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 114030596
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone (CID 102707053) is (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(C)c(F)cc2F)cc1N.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is XJIZIONRVPKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-8-4-10(3)15(19)6-11(8)16(20)12-5-9(2)13(17)7-14(12)18/h4-7H,19H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 275.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 102707053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).