(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate

C10H9BrN2O2 — CID 116819797

IUPAC(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate
SMILESCN(CC#N)C(=O)Oc1ccccc1Br
InChIInChI=1S/C10H9BrN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,7H2,1H3
InChIKeyHMBHGXJWNRTJAI-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.40
Rot. Bonds2

About (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate

(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate (PubChem CID 116819797) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate.

Molecular Properties

Compound Name(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate
PubChem CID116819797
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate
SMILESCN(CC#N)C(=O)Oc1ccccc1Br
InChIInChI=1S/C10H9BrN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,7H2,1H3
InChIKeyHMBHGXJWNRTJAI-UHFFFAOYSA-N
XLogP2.40
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2,4,5-trimethylphenyl) N-(cyanomethyl)-N-methylcarbamate
CID 116819820
(3,5-dimethoxyphenyl) N-(cyanomethyl)-N-methylcarbamate
CID 116819828
(2-bromophenyl) 3-methylbutanoate
CID 121271794
1-(cyanomethyl)-1,3-dimethyl-3-phenylurea
CID 102316457
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
CID 95623381
(2-cyanophenyl) N-methyl-N-nitrosocarbamate
CID 21316917
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
[2-[bis(cyanomethyl)carbamoyl]phenyl] acetate
CID 3362935
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
1-bromo-2-prop-1-en-2-yloxybenzene
CID 156775393

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate?
The IUPAC name of (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate (CID 116819797) is (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate.
What is the SMILES notation for (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate?
The canonical SMILES for (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate is CN(CC#N)C(=O)Oc1ccccc1Br.
What is the InChIKey of (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate?
The InChIKey is HMBHGXJWNRTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,7H2,1H3.
What are the key properties of (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate?
(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate has a molecular weight of 269.10 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate is sourced from PubChem (CID 116819797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).