(4-bromophenyl) N-benzylcarbamate

C14H12BrNO2 — CID 2802351

IUPAC(4-bromophenyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-12-6-8-13(9-7-12)18-14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeySJFHNXMJWYBPAP-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.74
Rot. Bonds3

About (4-bromophenyl) N-benzylcarbamate

(4-bromophenyl) N-benzylcarbamate (PubChem CID 2802351) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (4-bromophenyl) N-benzylcarbamate.

Molecular Properties

Compound Name(4-bromophenyl) N-benzylcarbamate
PubChem CID2802351
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(4-bromophenyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-12-6-8-13(9-7-12)18-14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeySJFHNXMJWYBPAP-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-benzylcarbamate?
The IUPAC name of (4-bromophenyl) N-benzylcarbamate (CID 2802351) is (4-bromophenyl) N-benzylcarbamate.
What is the SMILES notation for (4-bromophenyl) N-benzylcarbamate?
The canonical SMILES for (4-bromophenyl) N-benzylcarbamate is O=C(NCc1ccccc1)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) N-benzylcarbamate?
The InChIKey is SJFHNXMJWYBPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-6-8-13(9-7-12)18-14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of (4-bromophenyl) N-benzylcarbamate?
(4-bromophenyl) N-benzylcarbamate has a molecular weight of 306.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) N-benzylcarbamate is sourced from PubChem (CID 2802351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).