(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane

C32H23Cl7F6N5O6P — CID 172918738

IUPAC(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane
SMILESC.ClP(Cl)(Cl)(Cl)Cl.O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1.O=[N+]([O-])c1cccc(/C(Cl)=N/N=C(\Cl)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H11F3N2O4.C15H8Cl2F3N3O2.CH4.Cl5P/c17-16(18,19)12-6-4-10(5-7-12)14(22)9-20-15(23)11-2-1-3-13(8-11)21(24)25;16-13(9-4-6-11(7-5-9)15(18,19)20)21-22-14(17)10-2-1-3-12(8-10)23(24)25;;1-6(2,3,4)5/h1-8H,9H2,(H,20,23);1-8H;1H4;/b;21-13-,22-14-;;
InChIKeyJBTUWPKSPMRRJO-SSVQXNFUSA-N
MW966.70 g/mol
LogP13.37
Rot. Bonds9

About (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane

(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane (PubChem CID 172918738) has the molecular formula C32H23Cl7F6N5O6P and a molecular weight of 966.70 g/mol. Its IUPAC name is (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane.

Molecular Properties

Compound Name(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane
PubChem CID172918738
Molecular FormulaC32H23Cl7F6N5O6P
Molecular Weight966.70 g/mol
Exact Mass962.91
IUPAC Name(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane
SMILESC.ClP(Cl)(Cl)(Cl)Cl.O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1.O=[N+]([O-])c1cccc(/C(Cl)=N/N=C(\Cl)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H11F3N2O4.C15H8Cl2F3N3O2.CH4.Cl5P/c17-16(18,19)12-6-4-10(5-7-12)14(22)9-20-15(23)11-2-1-3-13(8-11)21(24)25;16-13(9-4-6-11(7-5-9)15(18,19)20)21-22-14(17)10-2-1-3-12(8-10)23(24)25;;1-6(2,3,4)5/h1-8H,9H2,(H,20,23);1-8H;1H4;/b;21-13-,22-14-;;
InChIKeyJBTUWPKSPMRRJO-SSVQXNFUSA-N
XLogP13.37
TPSA157.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.70
LogP ≤ 513.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 27774214
N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 173008077
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-nitrobenzamide
CID 21361665
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269498
2,6-difluorobenzoyl chloride;3-nitrobenzoyl chloride;4-(trifluoromethyl)benzoyl chloride;hydrochloride
CID 162542415
3-nitro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423219
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050

Frequently Asked Questions

What is the IUPAC name of (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane?
The IUPAC name of (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane (CID 172918738) is (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane.
What is the SMILES notation for (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane?
The canonical SMILES for (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane is C.ClP(Cl)(Cl)(Cl)Cl.O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1.O=[N+]([O-])c1cccc(/C(Cl)=N/N=C(\Cl)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane?
The InChIKey is JBTUWPKSPMRRJO-SSVQXNFUSA-N. The full InChI is InChI=1S/C16H11F3N2O4.C15H8Cl2F3N3O2.CH4.Cl5P/c17-16(18,19)12-6-4-10(5-7-12)14(22)9-20-15(23)11-2-1-3-13(8-11)21(24)25;16-13(9-4-6-11(7-5-9)15(18,19)20)21-22-14(17)10-2-1-3-12(8-10)23(24)25;;1-6(2,3,4)5/h1-8H,9H2,(H,20,23);1-8H;1H4;/b;21-13-,22-14-;;.
What are the key properties of (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane?
(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane has a molecular weight of 966.70 g/mol, XLogP of 13.37, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane is sourced from PubChem (CID 172918738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).