1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one

C15H11Cl2NO3 — CID 165048389

IUPAC1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2NO3/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(9-11)18(20)21/h1-6,9H,7-8H2
InChIKeyPGOROYXDTAWODH-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one

1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one (PubChem CID 165048389) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
PubChem CID165048389
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2NO3/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(9-11)18(20)21/h1-6,9H,7-8H2
InChIKeyPGOROYXDTAWODH-UHFFFAOYSA-N
XLogP4.26
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.26
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-chloro-5-[3-(3,4-difluorophenyl)-2-oxopropyl]phenyl]-methyl-oxoazanium
CID 164954763
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-[4-(4-chloro-3-nitrophenyl)sulfanylphenyl]acetic acid
CID 91876949
1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 63527874
2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
CID 62923477
2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
CID 104513124
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
1-chloro-4-[(4-methylphenyl)methyl]-2-nitrobenzene
CID 59408136
5-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-2-fluoroaniline
CID 115558116
N-[(4-chloro-3-nitrophenyl)methyl]-2,2-dimethylpropanamide
CID 66765017
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one (CID 165048389) is 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one?
The InChIKey is PGOROYXDTAWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(9-11)18(20)21/h1-6,9H,7-8H2.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one?
1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one has a molecular weight of 324.16 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one is sourced from PubChem (CID 165048389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).