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

C15H16BrNO2 — CID 70682614

IUPAC(1-bromonaphthalen-2-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNO2/c1-2-3-10-17-15(18)19-13-9-8-11-6-4-5-7-12(11)14(13)16/h4-9H,2-3,10H2,1H3,(H,17,18)
InChIKeyVSEYUALMNQZXOG-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.49
Rot. Bonds4

About (1-bromonaphthalen-2-yl) N-butylcarbamate

(1-bromonaphthalen-2-yl) N-butylcarbamate (PubChem CID 70682614) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) N-butylcarbamate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) N-butylcarbamate
PubChem CID70682614
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1-bromonaphthalen-2-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNO2/c1-2-3-10-17-15(18)19-13-9-8-11-6-4-5-7-12(11)14(13)16/h4-9H,2-3,10H2,1H3,(H,17,18)
InChIKeyVSEYUALMNQZXOG-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 (1-bromonaphthalen-2-yl) N-butylcarbamate?
The IUPAC name of (1-bromonaphthalen-2-yl) N-butylcarbamate (CID 70682614) is (1-bromonaphthalen-2-yl) N-butylcarbamate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) N-butylcarbamate?
The canonical SMILES for (1-bromonaphthalen-2-yl) N-butylcarbamate is CCCCNC(=O)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) N-butylcarbamate?
The InChIKey is VSEYUALMNQZXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-3-10-17-15(18)19-13-9-8-11-6-4-5-7-12(11)14(13)16/h4-9H,2-3,10H2,1H3,(H,17,18).
What are the key properties of (1-bromonaphthalen-2-yl) N-butylcarbamate?
(1-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 (1-bromonaphthalen-2-yl) N-butylcarbamate is sourced from PubChem (CID 70682614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).