(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate

C15H13BrClNO2 — CID 4127799

IUPAC(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyUQCRASKZOWWKGT-UHFFFAOYSA-N
MW354.63 g/mol
LogP5.33
Rot. Bonds2

About (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate

(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate (PubChem CID 4127799) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
PubChem CID4127799
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyUQCRASKZOWWKGT-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromo-6-methylphenyl) N-(3-methylphenyl)carbamate
CID 1376695
(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5161402
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
[4-[2-[4-[(3,5-dichlorophenyl)carbamoyloxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenyl] N-(3,5-dichlorophenyl)carbamate
CID 2727508
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
N-(3-methylphenyl)acetamide
CID 10843
(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
CID 70557166
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
CID 4246326
1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
CID 79729955

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate?
The IUPAC name of (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate (CID 4127799) is (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate.
What is the SMILES notation for (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate?
The canonical SMILES for (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1.
What is the InChIKey of (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate?
The InChIKey is UQCRASKZOWWKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate?
(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate has a molecular weight of 354.63 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate is sourced from PubChem (CID 4127799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).