(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate

C13H7Cl4NO2 — CID 134103774

IUPAC(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-7-1-2-11(17)12(6-7)18-13(19)20-10-4-8(15)3-9(16)5-10/h1-6H,(H,18,19)
InChIKeyZLKNBRKALGLDGA-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.91
Rot. Bonds2

About (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate

(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate (PubChem CID 134103774) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
PubChem CID134103774
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-7-1-2-11(17)12(6-7)18-13(19)20-10-4-8(15)3-9(16)5-10/h1-6H,(H,18,19)
InChIKeyZLKNBRKALGLDGA-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

pyridin-3-yl N-(2,5-dichlorophenyl)carbamate
CID 4143685
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743
(3-amino-4-methoxyphenyl) N-(2,5-dichlorophenyl)carbamate
CID 70556220
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
CID 10468799
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 3265597
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate (CID 134103774) is (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Cl)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate?
The InChIKey is ZLKNBRKALGLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-7-1-2-11(17)12(6-7)18-13(19)20-10-4-8(15)3-9(16)5-10/h1-6H,(H,18,19).
What are the key properties of (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate?
(3,5-dichlorophenyl) N-(2,5-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 (3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 134103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).