N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide

C22H18ClN3O2 — CID 121264156

IUPACN-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-18-13-11-17(12-14-18)21(27)25-19(15-7-3-1-4-8-15)22(28)26-20(24)16-9-5-2-6-10-16/h1-14,19H,(H,25,27)(H2,24,26,28)
InChIKeyFSGMSXNCOVNKMR-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide

N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide (PubChem CID 121264156) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide
PubChem CID121264156
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide
SMILESN/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-18-13-11-17(12-14-18)21(27)25-19(15-7-3-1-4-8-15)22(28)26-20(24)16-9-5-2-6-10-16/h1-14,19H,(H,25,27)(H2,24,26,28)
InChIKeyFSGMSXNCOVNKMR-UHFFFAOYSA-N
XLogP3.74
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
CID 121264483
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-[amino(phenyl)methylidene]-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-2-phenylacetamide
CID 145056361
2-amino-N-[amino(phenyl)methylidene]-2-phenylacetamide
CID 121264672
N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-4-bromofuran-2-carboxamide
CID 121264477
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide (CID 121264156) is N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide is N/C(=N\C(=O)C(NC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide?
The InChIKey is FSGMSXNCOVNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-13-11-17(12-14-18)21(27)25-19(15-7-3-1-4-8-15)22(28)26-20(24)16-9-5-2-6-10-16/h1-14,19H,(H,25,27)(H2,24,26,28).
What are the key properties of N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide?
N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide has a molecular weight of 391.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(phenyl)methylidene]amino]-2-oxo-1-phenylethyl]-4-chlorobenzamide is sourced from PubChem (CID 121264156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).