(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate

C13H7Cl4NO2 — CID 4318743

IUPAC(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-7-3-8(15)5-10(4-7)20-13(19)18-9-1-2-11(16)12(17)6-9/h1-6H,(H,18,19)
InChIKeyOEROCOPYDDIGGC-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.91
Rot. Bonds2

About (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate

(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate (PubChem CID 4318743) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
PubChem CID4318743
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-7-3-8(15)5-10(4-7)20-13(19)18-9-1-2-11(16)12(17)6-9/h1-6H,(H,18,19)
InChIKeyOEROCOPYDDIGGC-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

(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate
CID 3955109
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
CID 3970988
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
CID 134122952
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate (CID 4318743) is (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The InChIKey is OEROCOPYDDIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-7-3-8(15)5-10(4-7)20-13(19)18-9-1-2-11(16)12(17)6-9/h1-6H,(H,18,19).
What are the key properties of (3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
(3,5-dichlorophenyl) N-(3,4-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-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 4318743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).