N-(benzhydrylideneamino)-2-chloroacetamide

C15H13ClN2O — CID 607111

IUPACN-(benzhydrylideneamino)-2-chloroacetamide
SMILESO=C(CCl)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-11-14(19)17-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
InChIKeyFOGMNOHCZQDZGD-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.79
Rot. Bonds4

About N-(benzhydrylideneamino)-2-chloroacetamide

N-(benzhydrylideneamino)-2-chloroacetamide (PubChem CID 607111) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-chloroacetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-chloroacetamide
PubChem CID607111
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-(benzhydrylideneamino)-2-chloroacetamide
SMILESO=C(CCl)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-11-14(19)17-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
InChIKeyFOGMNOHCZQDZGD-UHFFFAOYSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.79
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'}

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Related Compounds

3-Phenyl-6-pyridazone
CID 75106
5-Chloro-6-phenylpyridazin-3-ol
CID 2735803
2-chloro-N'-(diphenylmethylene)propanohydrazide
CID 319826
N'-(4-phenylcyclohexylidene)acetohydrazide
CID 5154466
Benzophenone semicarbazone
CID 264656
N'-(Diphenylmethylidene)acetohydrazide
CID 319836
3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one
CID 10956706
N-(benzhydrylideneamino)-2-(chloromethyl)-3,3-dimethylbutanamide
CID 42628286
5,6-Diphenyl-3(2H)-pyridazinone
CID 150976
4-(4-methylphenyl)-3-phenyl-1H-pyridazin-6-one
CID 15505203
N'-[(1Z)-1-Phenylethylidene]acetohydrazide
CID 5406438
N'-[(1E)-1-phenylethylidene]acetohydrazide
CID 5406439

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-chloroacetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-chloroacetamide (CID 607111) is N-(benzhydrylideneamino)-2-chloroacetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-chloroacetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-chloroacetamide is O=C(CCl)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-chloroacetamide?
The InChIKey is FOGMNOHCZQDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-14(19)17-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19).
What are the key properties of N-(benzhydrylideneamino)-2-chloroacetamide?
N-(benzhydrylideneamino)-2-chloroacetamide has a molecular weight of 272.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-chloroacetamide is sourced from PubChem (CID 607111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).