N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide

C16H13ClFN3O3 — CID 7428724

IUPACN-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13ClFN3O3/c1-10(12-4-7-14(17)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(18)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-
InChIKeyLMUHSXXZYUJYMN-GRSHGNNSSA-N
MW349.75 g/mol
LogP3.47
Rot. Bonds5

About N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide

N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 7428724) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID7428724
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC NameN-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13ClFN3O3/c1-10(12-4-7-14(17)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(18)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-
InChIKeyLMUHSXXZYUJYMN-GRSHGNNSSA-N
XLogP3.47
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
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'}

Analyze N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide 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

2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428850
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 4135211
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
N-(butan-2-ylideneamino)-4-chloro-3-nitrobenzamide
CID 923552
N-[(Z)-1-(4-ethoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156130

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide (CID 7428724) is N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide is C/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is LMUHSXXZYUJYMN-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c1-10(12-4-7-14(17)15(9-12)21(23)24)19-20-16(22)8-11-2-5-13(18)6-3-11/h2-7,9H,8H2,1H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 349.75 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7428724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).