2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide

C22H18ClN3O2 — CID 46803956

IUPAC2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O2/c23-20-12-5-4-11-19(20)22(28)25-18-10-6-9-17(13-18)15-24-26-21(27)14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,28)(H,26,27)/b24-15+
InChIKeyRCKXLDBOFKSTHY-BUVRLJJBSA-N
MW391.86 g/mol
LogP4.29
Rot. Bonds6

About 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide

2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide (PubChem CID 46803956) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
PubChem CID46803956
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O2/c23-20-12-5-4-11-19(20)22(28)25-18-10-6-9-17(13-18)15-24-26-21(27)14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,28)(H,26,27)/b24-15+
InChIKeyRCKXLDBOFKSTHY-BUVRLJJBSA-N
XLogP4.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
CID 42991489
N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026189
2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
CID 46654984
2-chloro-N-[3-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl]benzamide
CID 9176139
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
2-chloro-N-[3-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 46496158
2-chloro-N-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4605421
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6261655
2-chloro-N-[3-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496124
2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
CID 7946519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide (CID 46803956) is 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide is O=C(Cc1ccccc1)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide?
The InChIKey is RCKXLDBOFKSTHY-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-20-12-5-4-11-19(20)22(28)25-18-10-6-9-17(13-18)15-24-26-21(27)14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,28)(H,26,27)/b24-15+.
What are the key properties of 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide?
2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide has a molecular weight of 391.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide is sourced from PubChem (CID 46803956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).