N-(4-bromophenyl)azocane-1-carboxamide

C14H19BrN2O — CID 3245808

IUPACN-(4-bromophenyl)azocane-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18)
InChIKeyRUQXVBHDIDOIQB-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.25
Rot. Bonds1

About N-(4-bromophenyl)azocane-1-carboxamide

N-(4-bromophenyl)azocane-1-carboxamide (PubChem CID 3245808) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)azocane-1-carboxamide
PubChem CID3245808
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)azocane-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18)
InChIKeyRUQXVBHDIDOIQB-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)azocane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)azocane-1-carboxamide (CID 3245808) is N-(4-bromophenyl)azocane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)azocane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)azocane-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCCCCCC1.
What is the InChIKey of N-(4-bromophenyl)azocane-1-carboxamide?
The InChIKey is RUQXVBHDIDOIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18).
What are the key properties of N-(4-bromophenyl)azocane-1-carboxamide?
N-(4-bromophenyl)azocane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)azocane-1-carboxamide is sourced from PubChem (CID 3245808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).