N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide

C22H16Cl2N2O — CID 570382

IUPACN-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)c(/N=C/C=Cc2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl2N2O/c23-18-15-21(26-22(27)17-11-5-2-6-12-17)19(24)14-20(18)25-13-7-10-16-8-3-1-4-9-16/h1-15H,(H,26,27)/b10-7?,25-13+
InChIKeyJJZRJPCYOFZDAC-HZBLVRCWSA-N
MW395.29 g/mol
LogP6.66
Rot. Bonds5

About N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide

N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide (PubChem CID 570382) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide
PubChem CID570382
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC NameN-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)c(/N=C/C=Cc2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl2N2O/c23-18-15-21(26-22(27)17-11-5-2-6-12-17)19(24)14-20(18)25-13-7-10-16-8-3-1-4-9-16/h1-15H,(H,26,27)/b10-7?,25-13+
InChIKeyJJZRJPCYOFZDAC-HZBLVRCWSA-N
XLogP6.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
CID 122707265
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
5-phenyl-N-(2,4,5-trichlorophenyl)penta-2,4-dienamide
CID 4147233
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 126007946
2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 165346255
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
CID 174534912

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide?
The IUPAC name of N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide (CID 570382) is N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide.
What is the SMILES notation for N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide?
The canonical SMILES for N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide is O=C(Nc1cc(Cl)c(/N=C/C=Cc2ccccc2)cc1Cl)c1ccccc1.
What is the InChIKey of N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide?
The InChIKey is JJZRJPCYOFZDAC-HZBLVRCWSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c23-18-15-21(26-22(27)17-11-5-2-6-12-17)19(24)14-20(18)25-13-7-10-16-8-3-1-4-9-16/h1-15H,(H,26,27)/b10-7?,25-13+.
What are the key properties of N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide?
N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide has a molecular weight of 395.29 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dichloro-4-(cinnamylideneamino)phenyl]benzamide is sourced from PubChem (CID 570382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).