1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone

C14H9Cl2NO3 — CID 148638353

IUPAC1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(17(19)20)4-5-13(12)16/h1-6,8H,7H2
InChIKeyNJNFHTCZAVYQBE-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone

1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone (PubChem CID 148638353) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
PubChem CID148638353
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H9Cl2NO3/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(17(19)20)4-5-13(12)16/h1-6,8H,7H2
InChIKeyNJNFHTCZAVYQBE-UHFFFAOYSA-N
XLogP4.33
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.33
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

2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
CID 62505296
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
(2-methoxy-4-nitrophenyl) 2-(3-chlorophenyl)acetate
CID 15536453
1-(2-chloro-5-nitrophenyl)-4,4,4-trifluorobutan-1-one
CID 153206867
1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901382
1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 63527874
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
CID 161054765
CID 161054765
sodium 2-(3-nitrophenyl)acetate
CID 20571503

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone (CID 148638353) is 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone?
The InChIKey is NJNFHTCZAVYQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(17(19)20)4-5-13(12)16/h1-6,8H,7H2.
What are the key properties of 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone?
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone has a molecular weight of 310.14 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 148638353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).