N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide

C16H14ClFN2O2 — CID 8826204

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-10(13-9-11(17)7-8-15(13)22-2)19-20-16(21)12-5-3-4-6-14(12)18/h3-9H,1-2H3,(H,20,21)/b19-10-
InChIKeyWNSJHXVKFWUXHC-GRSHGNNSSA-N
MW320.75 g/mol
LogP3.64
Rot. Bonds4

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide (PubChem CID 8826204) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide
PubChem CID8826204
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-10(13-9-11(17)7-8-15(13)22-2)19-20-16(21)12-5-3-4-6-14(12)18/h3-9H,1-2H3,(H,20,21)/b19-10-
InChIKeyWNSJHXVKFWUXHC-GRSHGNNSSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6904308
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CID 135578375
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CID 275443
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CID 4251870
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CID 6251232
CID 6251232
CID 9682183
CID 9682183
CID 118706237
CID 118706237
CID 2091488
CID 2091488
CID 5981751
CID 5981751
CID 6876807
CID 6876807
CID 66897828
CID 66897828
CID 5335154
CID 5335154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide (CID 8826204) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide is COc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1F.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide?
The InChIKey is WNSJHXVKFWUXHC-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10(13-9-11(17)7-8-15(13)22-2)19-20-16(21)12-5-3-4-6-14(12)18/h3-9H,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 8826204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).