(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone

C15H13ClFNO — CID 113319706

IUPAC(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H13ClFNO/c1-8-5-11(13(16)6-9(8)2)15(19)12-7-10(17)3-4-14(12)18/h3-7H,18H2,1-2H3
InChIKeyAIBSULDOAMKFPH-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.91
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone

(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone (PubChem CID 113319706) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
PubChem CID113319706
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
SMILESCc1cc(Cl)c(C(=O)c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H13ClFNO/c1-8-5-11(13(16)6-9(8)2)15(19)12-7-10(17)3-4-14(12)18/h3-7H,18H2,1-2H3
InChIKeyAIBSULDOAMKFPH-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.91
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)-(4-methylphenyl)methanone
CID 13408102
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone (CID 113319706) is (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone is Cc1cc(Cl)c(C(=O)c2cc(F)ccc2N)cc1C.
What is the InChIKey of (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
The InChIKey is AIBSULDOAMKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-8-5-11(13(16)6-9(8)2)15(19)12-7-10(17)3-4-14(12)18/h3-7H,18H2,1-2H3.
What are the key properties of (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone?
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone has a molecular weight of 277.73 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 113319706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).