2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide

C12H13ClN2O — CID 5417719

IUPAC2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C12H13ClN2O/c1-8(9-6-7-9)14-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16)/b14-8-
InChIKeyLCYJEXRHUNRDGQ-ZSOIEALJSA-N
MW236.70 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide

2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide (PubChem CID 5417719) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
PubChem CID5417719
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C12H13ClN2O/c1-8(9-6-7-9)14-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16)/b14-8-
InChIKeyLCYJEXRHUNRDGQ-ZSOIEALJSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.86
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

4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide (CID 5417719) is 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
The InChIKey is LCYJEXRHUNRDGQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(9-6-7-9)14-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16)/b14-8-.
What are the key properties of 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide?
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide has a molecular weight of 236.70 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide is sourced from PubChem (CID 5417719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).