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

C15H13Cl2NO — CID 82787494

IUPAC(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7H,18H2,1-2H3
InChIKeyRYKQOLZCICQIPS-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.42
Rot. Bonds2

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

(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone (PubChem CID 82787494) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
PubChem CID82787494
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7H,18H2,1-2H3
InChIKeyRYKQOLZCICQIPS-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

(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114819640
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
4-amino-3-chloro-N-hydroxy-N-methylbenzamide
CID 131124028

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone (CID 82787494) is (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2ccc(N)c(Cl)c2)c(C)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The InChIKey is RYKQOLZCICQIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7H,18H2,1-2H3.
What are the key properties of (4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
(4-amino-3-chlorophenyl)-(4-chloro-2,5-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-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 82787494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).