2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide

C16H19ClN2O3 — CID 5177219

IUPAC2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide
SMILESCC1(C)OC(=CC=NNC(=O)c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C16H19ClN2O3/c1-15(2)16(3,4)22-13(21-15)9-10-18-19-14(20)11-7-5-6-8-12(11)17/h5-10H,1-4H3,(H,19,20)
InChIKeyPCULYJKGAMEEOM-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide

2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide (PubChem CID 5177219) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide
PubChem CID5177219
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide
SMILESCC1(C)OC(=CC=NNC(=O)c2ccccc2Cl)OC1(C)C
InChIInChI=1S/C16H19ClN2O3/c1-15(2)16(3,4)22-13(21-15)9-10-18-19-14(20)11-7-5-6-8-12(11)17/h5-10H,1-4H3,(H,19,20)
InChIKeyPCULYJKGAMEEOM-UHFFFAOYSA-N
XLogP3.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(butylideneamino)-2-chlorobenzamide
CID 4033779
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-chloro-N-formylbenzamide
CID 87771443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide (CID 5177219) is 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide is CC1(C)OC(=CC=NNC(=O)c2ccccc2Cl)OC1(C)C.
What is the InChIKey of 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide?
The InChIKey is PCULYJKGAMEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-15(2)16(3,4)22-13(21-15)9-10-18-19-14(20)11-7-5-6-8-12(11)17/h5-10H,1-4H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide?
2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide has a molecular weight of 322.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide is sourced from PubChem (CID 5177219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).