3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide

C16H15ClN2O — CID 19685334

IUPAC3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C16H15ClN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20)/b18-12+
InChIKeyUVEJJLKGZPYPFW-LDADJPATSA-N
MW286.76 g/mol
LogP3.80
Rot. Bonds3

About 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide

3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide (PubChem CID 19685334) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
PubChem CID19685334
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C16H15ClN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20)/b18-12+
InChIKeyUVEJJLKGZPYPFW-LDADJPATSA-N
XLogP3.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759
N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
CID 154807613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide (CID 19685334) is 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide?
The InChIKey is UVEJJLKGZPYPFW-LDADJPATSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-5-3-6-13(9-11)12(2)18-19-16(20)14-7-4-8-15(17)10-14/h3-10H,1-2H3,(H,19,20)/b18-12+.
What are the key properties of 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide?
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 19685334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).