N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide

C19H19BrN2O — CID 1247932

IUPACN-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C12CCN(CC1)Cc1ccccc12
InChIInChI=1S/C19H19BrN2O/c20-15-5-7-16(8-6-15)21-18(23)19-9-11-22(12-10-19)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2,(H,21,23)
InChIKeyANVXWLJNTMJAJB-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.93
Rot. Bonds2

About N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide

N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide (PubChem CID 1247932) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide
PubChem CID1247932
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC NameN-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C12CCN(CC1)Cc1ccccc12
InChIInChI=1S/C19H19BrN2O/c20-15-5-7-16(8-6-15)21-18(23)19-9-11-22(12-10-19)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2,(H,21,23)
InChIKeyANVXWLJNTMJAJB-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
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methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
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1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
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CID 55963786
N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
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N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide (CID 1247932) is N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide is O=C(Nc1ccc(Br)cc1)C12CCN(CC1)Cc1ccccc12.
What is the InChIKey of N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide?
The InChIKey is ANVXWLJNTMJAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c20-15-5-7-16(8-6-15)21-18(23)19-9-11-22(12-10-19)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2,(H,21,23).
What are the key properties of N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide?
N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide has a molecular weight of 371.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2,4,6-triene-1-carboxamide is sourced from PubChem (CID 1247932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).