2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide

C20H19ClN2O — CID 71952028

IUPAC2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C20H19ClN2O/c1-15-12-13-18(19(21)14-15)20(24)23-22-16(2)8-6-7-11-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24)
InChIKeyWSNHFWGFFQGLNO-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.02
Rot. Bonds5

About 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide

2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide (PubChem CID 71952028) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide
PubChem CID71952028
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C20H19ClN2O/c1-15-12-13-18(19(21)14-15)20(24)23-22-16(2)8-6-7-11-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24)
InChIKeyWSNHFWGFFQGLNO-UHFFFAOYSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.02
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)pyridine-3-carboxamide
CID 3645060
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide (CID 71952028) is 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide is CC(C=CC=Cc1ccccc1)=NNC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide?
The InChIKey is WSNHFWGFFQGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-15-12-13-18(19(21)14-15)20(24)23-22-16(2)8-6-7-11-17-9-4-3-5-10-17/h3-14H,1-2H3,(H,23,24).
What are the key properties of 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide?
2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide has a molecular weight of 338.84 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide is sourced from PubChem (CID 71952028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).