N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide

C16H15BrN2O — CID 79740821

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-12-4-1-10(2-5-12)16(20)19-15-8-3-11-9-13(18)6-7-14(11)15/h1-2,4-7,9,15H,3,8,18H2,(H,19,20)
InChIKeyAFAURBCCKWWBFT-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.45
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide (PubChem CID 79740821) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
PubChem CID79740821
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-12-4-1-10(2-5-12)16(20)19-15-8-3-11-9-13(18)6-7-14(11)15/h1-2,4-7,9,15H,3,8,18H2,(H,19,20)
InChIKeyAFAURBCCKWWBFT-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.45
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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
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CID 107940112
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 79741368
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide (CID 79740821) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide?
The InChIKey is AFAURBCCKWWBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-12-4-1-10(2-5-12)16(20)19-15-8-3-11-9-13(18)6-7-14(11)15/h1-2,4-7,9,15H,3,8,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide has a molecular weight of 331.21 g/mol, XLogP of 3.45, 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)-4-bromobenzamide is sourced from PubChem (CID 79740821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).