2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide

C16H15ClN2O2 — CID 46654984

IUPAC2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
SMILESCCO/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-18-11-12-6-5-7-13(10-12)19-16(20)14-8-3-4-9-15(14)17/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyIIGTWQCMHCHFHJ-WOJGMQOQSA-N
MW302.76 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide

2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide (PubChem CID 46654984) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
PubChem CID46654984
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
SMILESCCO/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-18-11-12-6-5-7-13(10-12)19-16(20)14-8-3-4-9-15(14)17/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyIIGTWQCMHCHFHJ-WOJGMQOQSA-N
XLogP3.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.96
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

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2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
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2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
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2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide (CID 46654984) is 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide is CCO/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide?
The InChIKey is IIGTWQCMHCHFHJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-21-18-11-12-6-5-7-13(10-12)19-16(20)14-8-3-4-9-15(14)17/h3-11H,2H2,1H3,(H,19,20)/b18-11+.
What are the key properties of 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide?
2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide is sourced from PubChem (CID 46654984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).