N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide

C17H13ClN2O — CID 7937324

IUPACN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-11(21)20-19-10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-10H,1H3,(H,20,21)/b19-10-
InChIKeyQSSBMIBPGRKKNC-GRSHGNNSSA-N
MW296.76 g/mol
LogP4.12
Rot. Bonds2

About N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide

N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide (PubChem CID 7937324) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
PubChem CID7937324
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H13ClN2O/c1-11(21)20-19-10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-10H,1H3,(H,20,21)/b19-10-
InChIKeyQSSBMIBPGRKKNC-GRSHGNNSSA-N
XLogP4.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.12
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide 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

[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 42995647
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 4263096
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839
4-[(4-tert-butylphenoxy)methyl]-N-[(10-chloroanthracen-9-yl)methylideneamino]benzamide
CID 2391842
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 16555946
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid
CID 6113992

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide (CID 7937324) is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide is CC(=O)N/N=C\c1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide?
The InChIKey is QSSBMIBPGRKKNC-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11(21)20-19-10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-10H,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide?
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide has a molecular weight of 296.76 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide is sourced from PubChem (CID 7937324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).