(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate

C15H13Br2NO2 — CID 1376695

IUPAC(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2c(C)cc(Br)cc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(16)8-13(14)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKBIOJKDJTLXPSV-UHFFFAOYSA-N
MW399.08 g/mol
LogP5.44
Rot. Bonds2

About (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate

(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate (PubChem CID 1376695) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate
PubChem CID1376695
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2c(C)cc(Br)cc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(16)8-13(14)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKBIOJKDJTLXPSV-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.08
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
CID 4127799
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
N-(3-methylphenyl)acetamide
CID 10843
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
CID 4246326
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
2-(2,4-dibromo-6-methylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123513
1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4180688
(2,4-dibromo-6-formylphenyl) 3-methylbenzoate
CID 4766699

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate?
The IUPAC name of (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate (CID 1376695) is (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate.
What is the SMILES notation for (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate?
The canonical SMILES for (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)Oc2c(C)cc(Br)cc2Br)c1.
What is the InChIKey of (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate?
The InChIKey is KBIOJKDJTLXPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(16)8-13(14)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate?
(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate has a molecular weight of 399.08 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate is sourced from PubChem (CID 1376695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).