carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate

C11H12ClN3O5 — CID 23292412

IUPACcarbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
SMILESNC(=O)OC(=O)NCC(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O5/c12-7-4-2-1-3-6(7)8(19-9(13)16)5-15-11(18)20-10(14)17/h1-4,8H,5H2,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyVKVDNNPMNPDTLQ-UHFFFAOYSA-N
MW301.69 g/mol
LogP1.28
Rot. Bonds4

About carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate

carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate (PubChem CID 23292412) has the molecular formula C11H12ClN3O5 and a molecular weight of 301.69 g/mol. Its IUPAC name is carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namecarbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
PubChem CID23292412
Molecular FormulaC11H12ClN3O5
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Namecarbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
SMILESNC(=O)OC(=O)NCC(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O5/c12-7-4-2-1-3-6(7)8(19-9(13)16)5-15-11(18)20-10(14)17/h1-4,8H,5H2,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyVKVDNNPMNPDTLQ-UHFFFAOYSA-N
XLogP1.28
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
carbamoyl N-[(2S)-2-carbamoyloxy-2-(4-chlorophenyl)ethyl]carbamate
CID 22940933
carbamoyl N-[2-carbamoyloxy-2-(3,4,5-trichlorothiophen-2-yl)ethyl]carbamate
CID 22598073
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
CID 142378040
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
CID 124560204
[(1R,3R)-1-(2-chlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407128
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
CID 175407136
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739

Frequently Asked Questions

What is the IUPAC name of carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate (CID 23292412) is carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate is NC(=O)OC(=O)NCC(OC(N)=O)c1ccccc1Cl.
What is the InChIKey of carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is VKVDNNPMNPDTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O5/c12-7-4-2-1-3-6(7)8(19-9(13)16)5-15-11(18)20-10(14)17/h1-4,8H,5H2,(H2,13,16)(H2,14,17)(H,15,18).
What are the key properties of carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate?
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 301.69 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 23292412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).