2-chloroethyl N-(4-methoxyphenyl)carbamate

C10H12ClNO3 — CID 4190237

IUPAC2-chloroethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCl)cc1
InChIInChI=1S/C10H12ClNO3/c1-14-9-4-2-8(3-5-9)12-10(13)15-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyMIXXDQCIWOLJSB-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.48
Rot. Bonds4

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

2-chloroethyl N-(4-methoxyphenyl)carbamate (PubChem CID 4190237) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloroethyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(4-methoxyphenyl)carbamate
PubChem CID4190237
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloroethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCl)cc1
InChIInChI=1S/C10H12ClNO3/c1-14-9-4-2-8(3-5-9)12-10(13)15-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyMIXXDQCIWOLJSB-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.48
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

hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
ethyl 4-(2-chloroethoxycarbonylamino)benzoate
CID 589550
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
CID 4268048
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
CID 59019482
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
CID 4192304
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 2-chloroethyl N-(4-methoxyphenyl)carbamate (CID 4190237) is 2-chloroethyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 2-chloroethyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCCCl)cc1.
What is the InChIKey of 2-chloroethyl N-(4-methoxyphenyl)carbamate?
The InChIKey is MIXXDQCIWOLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-9-4-2-8(3-5-9)12-10(13)15-7-6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-chloroethyl N-(4-methoxyphenyl)carbamate?
2-chloroethyl N-(4-methoxyphenyl)carbamate has a molecular weight of 229.66 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 4190237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).