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

C15H12Cl3NO2 — CID 3311503

IUPAC(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C15H12Cl3NO2/c1-8-3-4-13(9(2)5-8)19-15(20)21-14-7-11(17)10(16)6-12(14)18/h3-7H,1-2H3,(H,19,20)
InChIKeyYABVZMZDSODWCB-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.87
Rot. Bonds2

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

(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate (PubChem CID 3311503) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
PubChem CID3311503
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C15H12Cl3NO2/c1-8-3-4-13(9(2)5-8)19-15(20)21-14-7-11(17)10(16)6-12(14)18/h3-7H,1-2H3,(H,19,20)
InChIKeyYABVZMZDSODWCB-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.87
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

(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 70593902
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
CID 4086863
(2,4-diethylphenyl) N-(2,4-dimethylphenyl)carbamate
CID 141368036
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
(2,4,5-trichlorophenyl) N-[(E)-2-[(2,4,5-trichlorophenoxy)carbonylamino]ethenyl]carbamate
CID 3033549
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate (CID 3311503) is (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate is Cc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)c(C)c1.
What is the InChIKey of (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate?
The InChIKey is YABVZMZDSODWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-8-3-4-13(9(2)5-8)19-15(20)21-14-7-11(17)10(16)6-12(14)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of (2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate?
(2,4,5-trichlorophenyl) N-(2,4-dimethylphenyl)carbamate has a molecular weight of 344.63 g/mol, XLogP of 5.87, 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-dimethylphenyl)carbamate is sourced from PubChem (CID 3311503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).