N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide

C16H14BrClN2O — CID 107940112

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-11-5-10(6-12(18)8-11)16(21)20-15-4-1-9-7-13(19)2-3-14(9)15/h2-3,5-8,15H,1,4,19H2,(H,20,21)
InChIKeyMXFVWZXIRVRXOC-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.10
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide (PubChem CID 107940112) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
PubChem CID107940112
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-11-5-10(6-12(18)8-11)16(21)20-15-4-1-9-7-13(19)2-3-14(9)15/h2-3,5-8,15H,1,4,19H2,(H,20,21)
InChIKeyMXFVWZXIRVRXOC-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide (CID 107940112) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide is Nc1ccc2c(c1)CCC2NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide?
The InChIKey is MXFVWZXIRVRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-11-5-10(6-12(18)8-11)16(21)20-15-4-1-9-7-13(19)2-3-14(9)15/h2-3,5-8,15H,1,4,19H2,(H,20,21).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide has a molecular weight of 365.66 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 107940112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).