chloromethyl N-(2-chloro-5-cyanophenyl)carbamate

C9H6Cl2N2O2 — CID 164652627

IUPACchloromethyl N-(2-chloro-5-cyanophenyl)carbamate
SMILESN#Cc1ccc(Cl)c(NC(=O)OCCl)c1
InChIInChI=1S/C9H6Cl2N2O2/c10-5-15-9(14)13-8-3-6(4-12)1-2-7(8)11/h1-3H,5H2,(H,13,14)
InChIKeyFSKGAILONGXKGM-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.96
Rot. Bonds2

About chloromethyl N-(2-chloro-5-cyanophenyl)carbamate

chloromethyl N-(2-chloro-5-cyanophenyl)carbamate (PubChem CID 164652627) has the molecular formula C9H6Cl2N2O2 and a molecular weight of 245.06 g/mol. Its IUPAC name is chloromethyl N-(2-chloro-5-cyanophenyl)carbamate.

Molecular Properties

Compound Namechloromethyl N-(2-chloro-5-cyanophenyl)carbamate
PubChem CID164652627
Molecular FormulaC9H6Cl2N2O2
Molecular Weight245.06 g/mol
Exact Mass243.98
IUPAC Namechloromethyl N-(2-chloro-5-cyanophenyl)carbamate
SMILESN#Cc1ccc(Cl)c(NC(=O)OCCl)c1
InChIInChI=1S/C9H6Cl2N2O2/c10-5-15-9(14)13-8-3-6(4-12)1-2-7(8)11/h1-3H,5H2,(H,13,14)
InChIKeyFSKGAILONGXKGM-UHFFFAOYSA-N
XLogP2.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
3-amino-N-(2-chloro-5-cyanophenyl)-2-methylbutanamide
CID 113416373
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180
(2S)-3-[(2-chloro-5-cyanophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840545
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
N-(2-chloro-5-cyanophenyl)-3-methyl-2-sulfanylbutanamide
CID 107032759
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-cyanophenyl)acetamide
CID 107339269
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385

Frequently Asked Questions

What is the IUPAC name of chloromethyl N-(2-chloro-5-cyanophenyl)carbamate?
The IUPAC name of chloromethyl N-(2-chloro-5-cyanophenyl)carbamate (CID 164652627) is chloromethyl N-(2-chloro-5-cyanophenyl)carbamate.
What is the SMILES notation for chloromethyl N-(2-chloro-5-cyanophenyl)carbamate?
The canonical SMILES for chloromethyl N-(2-chloro-5-cyanophenyl)carbamate is N#Cc1ccc(Cl)c(NC(=O)OCCl)c1.
What is the InChIKey of chloromethyl N-(2-chloro-5-cyanophenyl)carbamate?
The InChIKey is FSKGAILONGXKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2/c10-5-15-9(14)13-8-3-6(4-12)1-2-7(8)11/h1-3H,5H2,(H,13,14).
What are the key properties of chloromethyl N-(2-chloro-5-cyanophenyl)carbamate?
chloromethyl N-(2-chloro-5-cyanophenyl)carbamate has a molecular weight of 245.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-(2-chloro-5-cyanophenyl)carbamate is sourced from PubChem (CID 164652627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).