[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate

C15H13Cl2N3O3 — CID 134094489

IUPAC[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate
SMILESCNC(=O)Nc1cccc(OC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O3/c1-18-14(21)19-9-4-2-5-10(8-9)23-15(22)20-13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H,20,22)(H2,18,19,21)
InChIKeyHCWVGQXGIHMMSI-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.36
Rot. Bonds3

About [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate

[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate (PubChem CID 134094489) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate
PubChem CID134094489
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate
SMILESCNC(=O)Nc1cccc(OC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl2N3O3/c1-18-14(21)19-9-4-2-5-10(8-9)23-15(22)20-13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H,20,22)(H2,18,19,21)
InChIKeyHCWVGQXGIHMMSI-UHFFFAOYSA-N
XLogP4.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
CID 134123027
[3-[(2-chlorophenyl)carbamoylamino]phenyl] N-methylcarbamate
CID 134123011
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
[3-[[(E)-2-methylbut-2-enoyl]amino]phenyl] N-methylcarbamate
CID 6070588
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate (CID 134094489) is [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate is CNC(=O)Nc1cccc(OC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate?
The InChIKey is HCWVGQXGIHMMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-18-14(21)19-9-4-2-5-10(8-9)23-15(22)20-13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H,20,22)(H2,18,19,21).
What are the key properties of [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate?
[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate has a molecular weight of 354.19 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 134094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).