(6-bromonaphthalen-2-yl) N-butylcarbamate

C15H16BrNO2 — CID 3361366

IUPAC(6-bromonaphthalen-2-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-2-3-8-17-15(18)19-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)
InChIKeyHPNBLXPEHNOSCV-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.49
Rot. Bonds4

About (6-bromonaphthalen-2-yl) N-butylcarbamate

(6-bromonaphthalen-2-yl) N-butylcarbamate (PubChem CID 3361366) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl) N-butylcarbamate.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl) N-butylcarbamate
PubChem CID3361366
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(6-bromonaphthalen-2-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-2-3-8-17-15(18)19-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)
InChIKeyHPNBLXPEHNOSCV-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl) N-butylcarbamate?
The IUPAC name of (6-bromonaphthalen-2-yl) N-butylcarbamate (CID 3361366) is (6-bromonaphthalen-2-yl) N-butylcarbamate.
What is the SMILES notation for (6-bromonaphthalen-2-yl) N-butylcarbamate?
The canonical SMILES for (6-bromonaphthalen-2-yl) N-butylcarbamate is CCCCNC(=O)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl) N-butylcarbamate?
The InChIKey is HPNBLXPEHNOSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-3-8-17-15(18)19-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3,(H,17,18).
What are the key properties of (6-bromonaphthalen-2-yl) N-butylcarbamate?
(6-bromonaphthalen-2-yl) N-butylcarbamate has a molecular weight of 322.20 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl) N-butylcarbamate is sourced from PubChem (CID 3361366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).