1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone

C14H8Cl3NO3 — CID 63527874

IUPAC1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl3NO3/c15-9-2-3-10(13(7-9)18(20)21)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6H2
InChIKeyADXIJFUUJHPVSM-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone

1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 63527874) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID63527874
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8Cl3NO3/c15-9-2-3-10(13(7-9)18(20)21)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6H2
InChIKeyADXIJFUUJHPVSM-UHFFFAOYSA-N
XLogP4.98
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 114029892
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
CID 165048389
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353
2-(3,4-dichlorophenyl)-1-(4-ethoxy-3-nitrophenyl)ethanone
CID 162090290
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
4-chloro-N-(3-methyl-2-oxobutyl)-2-nitrobenzamide
CID 64996640

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone (CID 63527874) is 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is ADXIJFUUJHPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-9-2-3-10(13(7-9)18(20)21)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6H2.
What are the key properties of 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone?
1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 344.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 63527874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).