4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide

C15H12ClN3O3 — CID 5396833

IUPAC4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O3/c1-10(11-4-8-14(9-5-11)19(21)22)17-18-15(20)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyUGBBHAHWMQNNJN-YVLHZVERSA-N
MW317.73 g/mol
LogP3.40
Rot. Bonds4

About 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide

4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 5396833) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID5396833
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O3/c1-10(11-4-8-14(9-5-11)19(21)22)17-18-15(20)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyUGBBHAHWMQNNJN-YVLHZVERSA-N
XLogP3.40
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.40
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'}

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Related Compounds

N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
4-nitro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 5217077
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
3-[(3-chlorobenzoyl)amino]-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 86809585
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
4-nitro-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4194720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide (CID 5396833) is 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is UGBBHAHWMQNNJN-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-10(11-4-8-14(9-5-11)19(21)22)17-18-15(20)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,18,20)/b17-10-.
What are the key properties of 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide?
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 317.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5396833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).