(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate

C11H13ClN2O4 — CID 54336409

IUPAC(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate
SMILESCON=C(CCl)OC(=O)Nc1ccccc1OC
InChIInChI=1S/C11H13ClN2O4/c1-16-9-6-4-3-5-8(9)13-11(15)18-10(7-12)14-17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyTVUFWONUXWHVOZ-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.44
Rot. Bonds4

About (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate

(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate (PubChem CID 54336409) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate.

Molecular Properties

Compound Name(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate
PubChem CID54336409
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate
SMILESCON=C(CCl)OC(=O)Nc1ccccc1OC
InChIInChI=1S/C11H13ClN2O4/c1-16-9-6-4-3-5-8(9)13-11(15)18-10(7-12)14-17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyTVUFWONUXWHVOZ-UHFFFAOYSA-N
XLogP2.44
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(dimethylamino)phenyl]carbamoyl 2-chloro-N-methoxyethanimidate
CID 173458164
2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
CID 113360064
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
ethane;(2-methoxyphenyl)urea
CID 143063924
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate?
The IUPAC name of (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate (CID 54336409) is (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate.
What is the SMILES notation for (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate?
The canonical SMILES for (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate is CON=C(CCl)OC(=O)Nc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate?
The InChIKey is TVUFWONUXWHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-16-9-6-4-3-5-8(9)13-11(15)18-10(7-12)14-17-2/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate?
(2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate has a molecular weight of 272.69 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)carbamoyl 2-chloro-N-methoxyethanimidate is sourced from PubChem (CID 54336409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).