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

C13H7Cl4NO2 — CID 5009796

IUPAC(3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-9-3-1-7(5-11(9)16)18-13(19)20-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyYNHFSEXKHDPCLD-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.91
Rot. Bonds2

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

(3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate (PubChem CID 5009796) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
PubChem CID5009796
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name(3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-9-3-1-7(5-11(9)16)18-13(19)20-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKeyYNHFSEXKHDPCLD-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

5,6-Dichloro-2(3H)-benzoxazolone
CID 21356
1-(3,4-Dichloro-phenyl)-3-(4-methoxy-phenyl)-urea
CID 853588
Phenyl N-(4-chlorophenyl)carbamate
CID 186645
2,4,5-Trichlorophenyl N-phenylcarbamate
CID 95761
2-Methoxyphenyl (4-chlorophenyl)carbamate
CID 730356
4-Chlorophenyl phenylcarbamate
CID 292622
Phenyl N-(3-chlorophenyl)carbamate
CID 232110
2-Chlorophenyl N-(3,4-dichlorophenyl)carbamate
CID 342483
(2,4-dichlorophenyl) N-(2-chlorophenyl)carbamate
CID 343660
2-Phenoxyethyl (3-chlorophenyl)carbamate
CID 2244782
2,4,6-Trichlorophenyl N-phenylcarbamate
CID 302825
4-Methoxyphenyl N-(3,4-dichlorophenyl)carbamate
CID 306682

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate (CID 5009796) is (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
The InChIKey is YNHFSEXKHDPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-9-3-1-7(5-11(9)16)18-13(19)20-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19).
What are the key properties of (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate?
(3,4-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 (3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 5009796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).