5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide

C16H14Cl2N2O — CID 107184150

IUPAC5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-7-11(19)6-13(15(14)18)16(21)20-8-10-5-9-3-1-2-4-12(9)10/h1-4,6-7,10H,5,8,19H2,(H,20,21)
InChIKeyXACUEPHBOJLPMF-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.65
Rot. Bonds3

About 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide

5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide (PubChem CID 107184150) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
PubChem CID107184150
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-7-11(19)6-13(15(14)18)16(21)20-8-10-5-9-3-1-2-4-12(9)10/h1-4,6-7,10H,5,8,19H2,(H,20,21)
InChIKeyXACUEPHBOJLPMF-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl 5-amino-2,3-dichlorobenzoate
CID 107199147
2,4-diamino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzamide
CID 61111657
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,4-difluorobenzamide
CID 61111839
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromobenzamide
CID 79719160
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-4-chlorobenzamide
CID 103764250
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993314
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide
CID 66409561
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-chlorobenzamide
CID 81307342
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methoxybenzamide
CID 61111294
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688514
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625369

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide (CID 107184150) is 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCC2Cc3ccccc32)c1.
What is the InChIKey of 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide?
The InChIKey is XACUEPHBOJLPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-7-11(19)6-13(15(14)18)16(21)20-8-10-5-9-3-1-2-4-12(9)10/h1-4,6-7,10H,5,8,19H2,(H,20,21).
What are the key properties of 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide?
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide has a molecular weight of 321.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107184150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).