(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone

C15H13Cl2NO — CID 116609737

IUPAC(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO/c1-8-3-9(2)5-10(4-8)15(19)11-6-12(16)14(18)13(17)7-11/h3-7H,18H2,1-2H3
InChIKeyKEPYTXPGBXHIMR-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.42
Rot. Bonds2

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

(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone (PubChem CID 116609737) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
PubChem CID116609737
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO/c1-8-3-9(2)5-10(4-8)15(19)11-6-12(16)14(18)13(17)7-11/h3-7H,18H2,1-2H3
InChIKeyKEPYTXPGBXHIMR-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.42
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

bis(3,5-dimethylphenyl)methanone
CID 15640171
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883146
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
2,6-dichloro-4-methylaniline;ethane
CID 143233725
(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
CID 116609801
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone (CID 116609737) is (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone?
The InChIKey is KEPYTXPGBXHIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-8-3-9(2)5-10(4-8)15(19)11-6-12(16)14(18)13(17)7-11/h3-7H,18H2,1-2H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone?
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone has a molecular weight of 294.18 g/mol, XLogP of 4.42, 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)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 116609737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).