(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate

C13H7Cl4NO2 — CID 4093750

IUPAC(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-8-5-4-7(6-10(8)16)20-13(19)18-11-3-1-2-9(15)12(11)17/h1-6H,(H,18,19)
InChIKeyLXFIDBGIFMVISV-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.91
Rot. Bonds2

About (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate

(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate (PubChem CID 4093750) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
PubChem CID4093750
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-8-5-4-7(6-10(8)16)20-13(19)18-11-3-1-2-9(15)12(11)17/h1-6H,(H,18,19)
InChIKeyLXFIDBGIFMVISV-UHFFFAOYSA-N
XLogP5.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.02
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
CID 4560735
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
methyl 2-[(2,3-dichlorophenyl)carbamoyloxy]benzoate
CID 3269108
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819713
N-(2,3-dichlorophenyl)-2-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]acetamide
CID 3910876
4-chloro-1-N,3-N-dihydroxy-5-[[3-[hydroxy(oxido)azaniumyl]phenoxy]carbonylamino]benzene-1,3-diamine oxide
CID 163131386

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate?
The IUPAC name of (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate (CID 4093750) is (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate.
What is the SMILES notation for (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate?
The canonical SMILES for (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate?
The InChIKey is LXFIDBGIFMVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-8-5-4-7(6-10(8)16)20-13(19)18-11-3-1-2-9(15)12(11)17/h1-6H,(H,18,19).
What are the key properties of (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate?
(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate has a molecular weight of 351.02 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate is sourced from PubChem (CID 4093750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).