(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid

C15H16BrNO2 — CID 67451727

IUPAC(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2/c1-15(2,3)17(14(18)19)13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,18,19)
InChIKeyGKFANRKGQZLGFR-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.89
Rot. Bonds1

About (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid

(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid (PubChem CID 67451727) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid
PubChem CID67451727
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2/c1-15(2,3)17(14(18)19)13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,18,19)
InChIKeyGKFANRKGQZLGFR-UHFFFAOYSA-N
XLogP4.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid?
The IUPAC name of (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid (CID 67451727) is (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid?
The canonical SMILES for (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid?
The InChIKey is GKFANRKGQZLGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-15(2,3)17(14(18)19)13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,18,19).
What are the key properties of (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid?
(4-bromonaphthalen-1-yl)-tert-butylcarbamic acid has a molecular weight of 322.20 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-tert-butylcarbamic acid is sourced from PubChem (CID 67451727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).