[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone

C15H10Cl2N2O3 — CID 54024564

IUPAC[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1/N=C/C[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-3-1-10(2-4-11)15(20)13-9-12(17)5-6-14(13)18-7-8-19(21)22/h1-7,9H,8H2/b18-7+
InChIKeyLBGORBDJOVRWFM-CNHKJKLMSA-N
MW337.16 g/mol
LogP4.20
Rot. Bonds5

About [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone

[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone (PubChem CID 54024564) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone
PubChem CID54024564
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1/N=C/C[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-3-1-10(2-4-11)15(20)13-9-12(17)5-6-14(13)18-7-8-19(21)22/h1-7,9H,8H2/b18-7+
InChIKeyLBGORBDJOVRWFM-CNHKJKLMSA-N
XLogP4.20
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[4-methyl-2-(2-nitroethylideneamino)phenyl]-phenylmethanone
CID 54260481
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
4-methoxycarbonyl-2-(2-nitroethylideneamino)benzoic acid
CID 131844265
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23766024
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
ethyl (E)-2-[(2-benzoyl-4-chlorophenyl)iminomethyl]-4,4,4-trifluoro-3-hydroxybut-2-enoate
CID 135672118
ethyl N-(2-benzoyl-4-nitrophenyl)methanimidate
CID 154127296
(4-chlorophenyl)-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methanone
CID 5301093

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone (CID 54024564) is [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1/N=C/C[N+](=O)[O-].
What is the InChIKey of [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone?
The InChIKey is LBGORBDJOVRWFM-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-11-3-1-10(2-4-11)15(20)13-9-12(17)5-6-14(13)18-7-8-19(21)22/h1-7,9H,8H2/b18-7+.
What are the key properties of [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone?
[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone has a molecular weight of 337.16 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 54024564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).