2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate

C14H17Cl2NO6 — CID 67929431

IUPAC2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(N(C(=O)OCCCl)C(=O)OCCCl)c(OC)c1
InChIInChI=1S/C14H17Cl2NO6/c1-20-10-3-4-11(12(9-10)21-2)17(13(18)22-7-5-15)14(19)23-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyJGTXXXNTMPZEEH-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.26
Rot. Bonds7

About 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate

2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate (PubChem CID 67929431) has the molecular formula C14H17Cl2NO6 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate
PubChem CID67929431
Molecular FormulaC14H17Cl2NO6
Molecular Weight366.20 g/mol
Exact Mass365.04
IUPAC Name2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(N(C(=O)OCCCl)C(=O)OCCCl)c(OC)c1
InChIInChI=1S/C14H17Cl2NO6/c1-20-10-3-4-11(12(9-10)21-2)17(13(18)22-7-5-15)14(19)23-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyJGTXXXNTMPZEEH-UHFFFAOYSA-N
XLogP3.26
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
2-amino-N-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 28794842
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
2-amino-4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 115241105
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
(2,4-dimethoxyphenyl) 3-chloropropanoate
CID 69127526
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)butanamide
CID 91727289
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
(2S)-2-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521202
N-(2,4-dimethoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178639
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate?
The IUPAC name of 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate (CID 67929431) is 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate is COc1ccc(N(C(=O)OCCCl)C(=O)OCCCl)c(OC)c1.
What is the InChIKey of 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate?
The InChIKey is JGTXXXNTMPZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO6/c1-20-10-3-4-11(12(9-10)21-2)17(13(18)22-7-5-15)14(19)23-8-6-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate?
2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate has a molecular weight of 366.20 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(2-chloroethoxycarbonyl)-N-(2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 67929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).