N-[(E)-1-chloropropan-2-ylideneamino]benzamide

C10H11ClN2O — CID 5380278

IUPACN-[(E)-1-chloropropan-2-ylideneamino]benzamide
SMILESC/C(CCl)=N\NC(=O)c1ccccc1
InChIInChI=1S/C10H11ClN2O/c1-8(7-11)12-13-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/b12-8+
InChIKeyHPKPRUVKYRETFY-XYOKQWHBSA-N
MW210.66 g/mol
LogP2.03
Rot. Bonds3

About N-[(E)-1-chloropropan-2-ylideneamino]benzamide

N-[(E)-1-chloropropan-2-ylideneamino]benzamide (PubChem CID 5380278) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-[(E)-1-chloropropan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-chloropropan-2-ylideneamino]benzamide
PubChem CID5380278
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-[(E)-1-chloropropan-2-ylideneamino]benzamide
SMILESC/C(CCl)=N\NC(=O)c1ccccc1
InChIInChI=1S/C10H11ClN2O/c1-8(7-11)12-13-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/b12-8+
InChIKeyHPKPRUVKYRETFY-XYOKQWHBSA-N
XLogP2.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-chloropropan-2-ylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
CID 6112093
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-chloropropan-2-ylideneamino]benzamide?
The IUPAC name of N-[(E)-1-chloropropan-2-ylideneamino]benzamide (CID 5380278) is N-[(E)-1-chloropropan-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-chloropropan-2-ylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-chloropropan-2-ylideneamino]benzamide is C/C(CCl)=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-chloropropan-2-ylideneamino]benzamide?
The InChIKey is HPKPRUVKYRETFY-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-8(7-11)12-13-10(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-1-chloropropan-2-ylideneamino]benzamide?
N-[(E)-1-chloropropan-2-ylideneamino]benzamide has a molecular weight of 210.66 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-chloropropan-2-ylideneamino]benzamide is sourced from PubChem (CID 5380278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).