N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate

C10H8Cl2NO3- — CID 57349497

IUPACN-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate
SMILESO=C(Cl)c1ccc(N(CCCl)C(=O)[O-])cc1
InChIInChI=1S/C10H9Cl2NO3/c11-5-6-13(10(15)16)8-3-1-7(2-4-8)9(12)14/h1-4H,5-6H2,(H,15,16)/p-1
InChIKeyGKNLACRKARVBPY-UHFFFAOYSA-M
MW261.08 g/mol
LogP1.45
Rot. Bonds4

About N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate

N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate (PubChem CID 57349497) has the molecular formula C10H8Cl2NO3- and a molecular weight of 261.08 g/mol. Its IUPAC name is N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate.

Molecular Properties

Compound NameN-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate
PubChem CID57349497
Molecular FormulaC10H8Cl2NO3-
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC NameN-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate
SMILESO=C(Cl)c1ccc(N(CCCl)C(=O)[O-])cc1
InChIInChI=1S/C10H9Cl2NO3/c11-5-6-13(10(15)16)8-3-1-7(2-4-8)9(12)14/h1-4H,5-6H2,(H,15,16)/p-1
InChIKeyGKNLACRKARVBPY-UHFFFAOYSA-M
XLogP1.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N-(2-chloroethyl)carbamate
CID 57376239
N-(2-chloroethyl)-N-(4-methylphenyl)carbamate
CID 57353360
4-[hydroxy(oxido)amino]benzoyl chloride
CID 21139736
4-[methyl(oxido)amino]benzoyl chloride
CID 163615508
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
4-[(2-chloroacetyl)-(2-propan-2-yloxyethyl)amino]benzoyl chloride
CID 19099416
4-(3-chloropropyl)benzoyl chloride
CID 86624859
N-(4-chlorobut-2-ynyl)-N-(4-chlorophenyl)carbamate
CID 57350187
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330

Frequently Asked Questions

What is the IUPAC name of N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate?
The IUPAC name of N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate (CID 57349497) is N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate.
What is the SMILES notation for N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate?
The canonical SMILES for N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate is O=C(Cl)c1ccc(N(CCCl)C(=O)[O-])cc1.
What is the InChIKey of N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate?
The InChIKey is GKNLACRKARVBPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9Cl2NO3/c11-5-6-13(10(15)16)8-3-1-7(2-4-8)9(12)14/h1-4H,5-6H2,(H,15,16)/p-1.
What are the key properties of N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate?
N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate has a molecular weight of 261.08 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate is sourced from PubChem (CID 57349497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).