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

C11H11Cl2N3O — CID 82833436

IUPAC4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
SMILESCC(C#N)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c1-6(4-14)5-16-11(17)7-2-8(12)10(15)9(13)3-7/h2-3,6H,5,15H2,1H3,(H,16,17)
InChIKeyUNKRWVKJYPLTIM-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.47
Rot. Bonds3

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

4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide (PubChem CID 82833436) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
PubChem CID82833436
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.14 g/mol
Exact Mass271.03
IUPAC Name4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
SMILESCC(C#N)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c1-6(4-14)5-16-11(17)7-2-8(12)10(15)9(13)3-7/h2-3,6H,5,15H2,1H3,(H,16,17)
InChIKeyUNKRWVKJYPLTIM-UHFFFAOYSA-N
XLogP2.47
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.47
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

4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832892
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide (CID 82833436) is 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide is CC(C#N)CNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide?
The InChIKey is UNKRWVKJYPLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-6(4-14)5-16-11(17)7-2-8(12)10(15)9(13)3-7/h2-3,6H,5,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide?
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide has a molecular weight of 272.14 g/mol, XLogP of 2.47, 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-cyanopropyl)benzamide is sourced from PubChem (CID 82833436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).