(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

C15H13ClFNO — CID 112580805

IUPAC(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2Cl)cc(C)c1F
InChIInChI=1S/C15H13ClFNO/c1-8-6-10(7-9(2)14(8)17)15(19)11-4-3-5-12(18)13(11)16/h3-7H,18H2,1-2H3
InChIKeyLQCJMOFOCLICRE-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.91
Rot. Bonds2

About (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 112580805) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID112580805
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2Cl)cc(C)c1F
InChIInChI=1S/C15H13ClFNO/c1-8-6-10(7-9(2)14(8)17)15(19)11-4-3-5-12(18)13(11)16/h3-7H,18H2,1-2H3
InChIKeyLQCJMOFOCLICRE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(3-amino-4-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298208
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 81397447
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (CID 112580805) is (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2cccc(N)c2Cl)cc(C)c1F.
What is the InChIKey of (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is LQCJMOFOCLICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-8-6-10(7-9(2)14(8)17)15(19)11-4-3-5-12(18)13(11)16/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-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 (3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 112580805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).