ethyl N-(4-bromo-2-cyanophenyl)carbamate

C10H9BrN2O2 — CID 18367857

IUPACethyl N-(4-bromo-2-cyanophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyNQFAHYWFJMMSLF-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.89
Rot. Bonds2

About ethyl N-(4-bromo-2-cyanophenyl)carbamate

ethyl N-(4-bromo-2-cyanophenyl)carbamate (PubChem CID 18367857) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl N-(4-bromo-2-cyanophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromo-2-cyanophenyl)carbamate
PubChem CID18367857
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl N-(4-bromo-2-cyanophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyNQFAHYWFJMMSLF-UHFFFAOYSA-N
XLogP2.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-cyanophenyl)urea
CID 82708837
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
ethyl N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 82704325

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromo-2-cyanophenyl)carbamate?
The IUPAC name of ethyl N-(4-bromo-2-cyanophenyl)carbamate (CID 18367857) is ethyl N-(4-bromo-2-cyanophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-bromo-2-cyanophenyl)carbamate?
The canonical SMILES for ethyl N-(4-bromo-2-cyanophenyl)carbamate is CCOC(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of ethyl N-(4-bromo-2-cyanophenyl)carbamate?
The InChIKey is NQFAHYWFJMMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-(4-bromo-2-cyanophenyl)carbamate?
ethyl N-(4-bromo-2-cyanophenyl)carbamate has a molecular weight of 269.10 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromo-2-cyanophenyl)carbamate is sourced from PubChem (CID 18367857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).