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

C18H14BrNO2 — CID 70686846

IUPAC(1-bromonaphthalen-2-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H14BrNO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)22-18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyOOPCPJKZTLSHKR-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.89
Rot. Bonds3

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

(1-bromonaphthalen-2-yl) N-benzylcarbamate (PubChem CID 70686846) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) N-benzylcarbamate
PubChem CID70686846
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name(1-bromonaphthalen-2-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H14BrNO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)22-18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyOOPCPJKZTLSHKR-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-bromonaphthalen-2-yl) N-benzylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-2-naphthyl diethylcarbamate
CID 735653
6-Bromo-2-naphthyl N-butylcarbamate
CID 3361366
(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate
CID 11824225
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
1-Bromo-2-naphthyl 1-azepanecarboxylate
CID 2928803
(1-Bromonaphthalen-2-yl) azetidine-1-carboxylate
CID 70691018
1-Bromonaphthalen-2-yl piperidine-1-carboxylate
CID 735652
(1-bromonaphthalen-2-yl) N-butylcarbamate
CID 70682614
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146
N-benzyl-2-[(1-bromo-2-naphthyl)oxy]acetamide
CID 1010834
1,2-Dihydro-1-(3-bromophenyl)naphtho[1,2-e][1,3] oxazine-3-one
CID 102512899
2-[(1-bromo-2-naphthyl)oxy]-N-(4-fluorobenzyl)acetamide
CID 1301597

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) N-benzylcarbamate?
The IUPAC name of (1-bromonaphthalen-2-yl) N-benzylcarbamate (CID 70686846) is (1-bromonaphthalen-2-yl) N-benzylcarbamate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) N-benzylcarbamate?
The canonical SMILES for (1-bromonaphthalen-2-yl) N-benzylcarbamate is O=C(NCc1ccccc1)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) N-benzylcarbamate?
The InChIKey is OOPCPJKZTLSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)22-18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21).
What are the key properties of (1-bromonaphthalen-2-yl) N-benzylcarbamate?
(1-bromonaphthalen-2-yl) N-benzylcarbamate has a molecular weight of 356.22 g/mol, XLogP of 4.89, 3 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-benzylcarbamate is sourced from PubChem (CID 70686846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).