N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide

C22H18ClN3O — CID 71816319

IUPACN-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc(/C=N/c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H18ClN3O/c1-16-4-2-5-19(12-16)22(27)26-25-15-18-10-8-17(9-11-18)14-24-21-7-3-6-20(23)13-21/h2-15H,1H3,(H,26,27)/b24-14+,25-15+
InChIKeyQIOIRLBYGDRTBD-KOJZRSEWSA-N
MW375.86 g/mol
LogP5.16
Rot. Bonds5

About N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide

N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide (PubChem CID 71816319) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
PubChem CID71816319
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccc(/C=N/c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H18ClN3O/c1-16-4-2-5-19(12-16)22(27)26-25-15-18-10-8-17(9-11-18)14-24-21-7-3-6-20(23)13-21/h2-15H,1H3,(H,26,27)/b24-14+,25-15+
InChIKeyQIOIRLBYGDRTBD-KOJZRSEWSA-N
XLogP5.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.16
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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide (CID 71816319) is N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C/c2ccc(/C=N/c3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide?
The InChIKey is QIOIRLBYGDRTBD-KOJZRSEWSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-16-4-2-5-19(12-16)22(27)26-25-15-18-10-8-17(9-11-18)14-24-21-7-3-6-20(23)13-21/h2-15H,1H3,(H,26,27)/b24-14+,25-15+.
What are the key properties of N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide?
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide has a molecular weight of 375.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 71816319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).