2-amino-3-chloro-5-cyano-N-ethylbenzamide

C10H10ClN3O — CID 130154016

IUPAC2-amino-3-chloro-5-cyano-N-ethylbenzamide
SMILESCCNC(=O)c1cc(C#N)cc(Cl)c1N
InChIInChI=1S/C10H10ClN3O/c1-2-14-10(15)7-3-6(5-12)4-8(11)9(7)13/h3-4H,2,13H2,1H3,(H,14,15)
InChIKeyBQZVIHQAYICOTG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.54
Rot. Bonds2

About 2-amino-3-chloro-5-cyano-N-ethylbenzamide

2-amino-3-chloro-5-cyano-N-ethylbenzamide (PubChem CID 130154016) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-amino-3-chloro-5-cyano-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-5-cyano-N-ethylbenzamide
PubChem CID130154016
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-amino-3-chloro-5-cyano-N-ethylbenzamide
SMILESCCNC(=O)c1cc(C#N)cc(Cl)c1N
InChIInChI=1S/C10H10ClN3O/c1-2-14-10(15)7-3-6(5-12)4-8(11)9(7)13/h3-4H,2,13H2,1H3,(H,14,15)
InChIKeyBQZVIHQAYICOTG-UHFFFAOYSA-N
XLogP1.54
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-cyanobenzohydrazide
CID 130952526
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-[(2-chloro-4-cyanophenyl)methylamino]-N-ethylacetamide
CID 102664089
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
methyl 3-amino-1-[4-chloro-3-(ethylcarbamoyl)phenyl]-4-cyanopyrrole-2-carboxylate
CID 168546286
ethyl 3-chloro-5-cyano-2-formylbenzoate
CID 134650924
2-amino-5-chloro-N-(cyanomethyl)-3-methylbenzamide
CID 150816609
2-amino-N-tert-butyl-5-cyano-3-methylbenzamide
CID 25156716
2-amino-5-bromo-N-ethyl-3-methylbenzamide
CID 169100332
2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 122583229
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
methyl 2-chloro-5-cyanobenzoate
CID 16659388

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-cyano-N-ethylbenzamide?
The IUPAC name of 2-amino-3-chloro-5-cyano-N-ethylbenzamide (CID 130154016) is 2-amino-3-chloro-5-cyano-N-ethylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-5-cyano-N-ethylbenzamide?
The canonical SMILES for 2-amino-3-chloro-5-cyano-N-ethylbenzamide is CCNC(=O)c1cc(C#N)cc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-5-cyano-N-ethylbenzamide?
The InChIKey is BQZVIHQAYICOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-2-14-10(15)7-3-6(5-12)4-8(11)9(7)13/h3-4H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-chloro-5-cyano-N-ethylbenzamide?
2-amino-3-chloro-5-cyano-N-ethylbenzamide has a molecular weight of 223.66 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-5-cyano-N-ethylbenzamide is sourced from PubChem (CID 130154016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).