2-chloro-2-(4-nitrophenyl)-1-phenylethanone

C14H10ClNO3 — CID 12546973

IUPAC2-chloro-2-(4-nitrophenyl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO3/c15-13(14(17)11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,13H
InChIKeyGZOPXCGGHJSLHZ-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-2-(4-nitrophenyl)-1-phenylethanone

2-chloro-2-(4-nitrophenyl)-1-phenylethanone (PubChem CID 12546973) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-chloro-2-(4-nitrophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-nitrophenyl)-1-phenylethanone
PubChem CID12546973
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name2-chloro-2-(4-nitrophenyl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO3/c15-13(14(17)11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,13H
InChIKeyGZOPXCGGHJSLHZ-UHFFFAOYSA-N
XLogP3.76
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
CID 81242654
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943
2,2-dichloro-1-(4-nitrophenyl)ethanone
CID 11148999
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] acetate
CID 2754201
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
2-(4-nitrophenyl)-4-oxo-4-phenylbutanenitrile
CID 122216430
2-chloro-2-(4-methylsulfanylphenyl)-1-phenylethanone
CID 54342161
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
2-(dimethylamino)-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 12727858
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-nitrophenyl)-1-phenylethanone?
The IUPAC name of 2-chloro-2-(4-nitrophenyl)-1-phenylethanone (CID 12546973) is 2-chloro-2-(4-nitrophenyl)-1-phenylethanone.
What is the SMILES notation for 2-chloro-2-(4-nitrophenyl)-1-phenylethanone?
The canonical SMILES for 2-chloro-2-(4-nitrophenyl)-1-phenylethanone is O=C(c1ccccc1)C(Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-2-(4-nitrophenyl)-1-phenylethanone?
The InChIKey is GZOPXCGGHJSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-13(14(17)11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,13H.
What are the key properties of 2-chloro-2-(4-nitrophenyl)-1-phenylethanone?
2-chloro-2-(4-nitrophenyl)-1-phenylethanone has a molecular weight of 275.69 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-nitrophenyl)-1-phenylethanone is sourced from PubChem (CID 12546973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).