(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate

C13H6Cl5NO2 — CID 4086863

IUPAC(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl5NO2/c14-6-1-2-11(9(17)3-6)19-13(20)21-12-5-8(16)7(15)4-10(12)18/h1-5H,(H,19,20)
InChIKeyYKXGDIHZQVNMHI-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.56
Rot. Bonds2

About (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate

(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate (PubChem CID 4086863) has the molecular formula C13H6Cl5NO2 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
PubChem CID4086863
Molecular FormulaC13H6Cl5NO2
Molecular Weight385.46 g/mol
Exact Mass382.88
IUPAC Name(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl5NO2/c14-6-1-2-11(9(17)3-6)19-13(20)21-12-5-8(16)7(15)4-10(12)18/h1-5H,(H,19,20)
InChIKeyYKXGDIHZQVNMHI-UHFFFAOYSA-N
XLogP6.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
CID 3311503
(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 70593902
(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
CID 3641246
2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
(2,4,5-trichlorophenyl) N-[(E)-2-[(2,4,5-trichlorophenoxy)carbonylamino]ethenyl]carbamate
CID 3033549
prop-2-ynyl N-(2,4-dichlorophenyl)carbamate
CID 534035
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2,4-dichlorophenyl)propanamide
CID 923083
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate (CID 4086863) is (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate?
The InChIKey is YKXGDIHZQVNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl5NO2/c14-6-1-2-11(9(17)3-6)19-13(20)21-12-5-8(16)7(15)4-10(12)18/h1-5H,(H,19,20).
What are the key properties of (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate?
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate has a molecular weight of 385.46 g/mol, XLogP of 6.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 4086863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).