4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide

C10H9Cl2N3O — CID 82832483

IUPAC4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
SMILESN#CCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c11-7-4-6(5-8(12)9(7)14)10(16)15-3-1-2-13/h4-5H,1,3,14H2,(H,15,16)
InChIKeyGGKRXPYOIOPHJG-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide

4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide (PubChem CID 82832483) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
PubChem CID82832483
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
SMILESN#CCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c11-7-4-6(5-8(12)9(7)14)10(16)15-3-1-2-13/h4-5H,1,3,14H2,(H,15,16)
InChIKeyGGKRXPYOIOPHJG-UHFFFAOYSA-N
XLogP2.22
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(2-cyanoethyl)benzamide
CID 107168327
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
CID 82833436
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-amino-3,5-dichloro-N,N-bis(cyanomethyl)benzamide
CID 82833195
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide (CID 82832483) is 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide is N#CCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide?
The InChIKey is GGKRXPYOIOPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-7-4-6(5-8(12)9(7)14)10(16)15-3-1-2-13/h4-5H,1,3,14H2,(H,15,16).
What are the key properties of 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide?
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide has a molecular weight of 258.11 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide is sourced from PubChem (CID 82832483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).