1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone

C15H13Cl2NO — CID 106871319

IUPAC1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(N)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-2-3-10(14(17)4-9)7-15(19)11-5-12(16)8-13(18)6-11/h2-6,8H,7,18H2,1H3
InChIKeyJOPFQXIZZAKDKW-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.31
Rot. Bonds3

About 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone

1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone (PubChem CID 106871319) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
PubChem CID106871319
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(N)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-2-3-10(14(17)4-9)7-15(19)11-5-12(16)8-13(18)6-11/h2-6,8H,7,18H2,1H3
InChIKeyJOPFQXIZZAKDKW-UHFFFAOYSA-N
XLogP4.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.31
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

1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 106865778
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
CID 116597474
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-amino-5-chlorophenyl)pent-3-yn-1-one
CID 116597316

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone (CID 106871319) is 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(N)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The InChIKey is JOPFQXIZZAKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-2-3-10(14(17)4-9)7-15(19)11-5-12(16)8-13(18)6-11/h2-6,8H,7,18H2,1H3.
What are the key properties of 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 106871319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).