(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone

C15H12Cl2FNO — CID 106883146

IUPAC(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H12Cl2FNO/c1-7-3-8(2)13(12(18)4-7)15(20)9-5-10(16)14(19)11(17)6-9/h3-6H,19H2,1-2H3
InChIKeyKDLPTPXWUJZSBB-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.56
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone

(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883146) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883146
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H12Cl2FNO/c1-7-3-8(2)13(12(18)4-7)15(20)9-5-10(16)14(19)11(17)6-9/h3-6H,19H2,1-2H3
InChIKeyKDLPTPXWUJZSBB-UHFFFAOYSA-N
XLogP4.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.56
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

(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 82814045
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
CID 106883290
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 106883144

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883146) is (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c(F)c1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is KDLPTPXWUJZSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-7-3-8(2)13(12(18)4-7)15(20)9-5-10(16)14(19)11(17)6-9/h3-6H,19H2,1-2H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 312.17 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).