2-chloro-N-(pentan-3-ylideneamino)benzamide

C12H15ClN2O — CID 4620662

IUPAC2-chloro-N-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-3-9(4-2)14-15-12(16)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyZNGKJTYGSBWBET-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-(pentan-3-ylideneamino)benzamide

2-chloro-N-(pentan-3-ylideneamino)benzamide (PubChem CID 4620662) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-chloro-N-(pentan-3-ylideneamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(pentan-3-ylideneamino)benzamide
PubChem CID4620662
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-chloro-N-(pentan-3-ylideneamino)benzamide
SMILESCCC(CC)=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-3-9(4-2)14-15-12(16)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyZNGKJTYGSBWBET-UHFFFAOYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.25
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

2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
N-(pentan-3-ylideneamino)benzamide
CID 4611553
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
N-(butylideneamino)-2-chlorobenzamide
CID 4033779
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9016363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pentan-3-ylideneamino)benzamide?
The IUPAC name of 2-chloro-N-(pentan-3-ylideneamino)benzamide (CID 4620662) is 2-chloro-N-(pentan-3-ylideneamino)benzamide.
What is the SMILES notation for 2-chloro-N-(pentan-3-ylideneamino)benzamide?
The canonical SMILES for 2-chloro-N-(pentan-3-ylideneamino)benzamide is CCC(CC)=NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(pentan-3-ylideneamino)benzamide?
The InChIKey is ZNGKJTYGSBWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-9(4-2)14-15-12(16)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(pentan-3-ylideneamino)benzamide?
2-chloro-N-(pentan-3-ylideneamino)benzamide has a molecular weight of 238.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pentan-3-ylideneamino)benzamide is sourced from PubChem (CID 4620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).