5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide

C11H13Cl2N3O — CID 169365669

IUPAC5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(/N=C(/N)CCl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-15-11(17)8-5-7(3-4-9(8)13)16-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYSBVWRGHTCYSTG-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.32
Rot. Bonds4

About 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide

5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide (PubChem CID 169365669) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide
PubChem CID169365669
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(/N=C(/N)CCl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-15-11(17)8-5-7(3-4-9(8)13)16-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYSBVWRGHTCYSTG-UHFFFAOYSA-N
XLogP2.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(1-amino-2-chloroethylidene)amino]-N-ethylbenzamide
CID 169365696
methyl N'-[4-chloro-3-(propylcarbamoyl)phenyl]-N-cyanocarbamimidothioate
CID 169360734
ethyl 4-[(1-amino-2-chloroethylidene)amino]-2-methylbenzoate
CID 169369720
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-[(1-amino-2-chloroethylidene)amino]-2-nitrobenzoic acid
CID 169365408
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2-chloro-N-ethyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278410
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2,3-difluoro-4-methylbenzamide
CID 131944998
2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
CID 174879581
2-chloro-N'-[4-(3,4-dimethylbenzoyl)phenyl]ethanimidamide
CID 169368563
4-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylbenzamide
CID 169366248

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide?
The IUPAC name of 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide (CID 169365669) is 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide.
What is the SMILES notation for 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide?
The canonical SMILES for 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide is CCNC(=O)c1cc(/N=C(/N)CCl)ccc1Cl.
What is the InChIKey of 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide?
The InChIKey is YSBVWRGHTCYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-2-15-11(17)8-5-7(3-4-9(8)13)16-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide?
5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide has a molecular weight of 274.15 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-chloroethylidene)amino]-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 169365669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).