(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate

C15H12BrF2NO2 — CID 4124456

IUPAC(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate
SMILESCc1cc(Br)c(OC(=O)Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C15H12BrF2NO2/c1-8-5-11(16)14(6-9(8)2)21-15(20)19-13-4-3-10(17)7-12(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyDBMCASYVKHKLBS-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.96
Rot. Bonds2

About (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate

(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate (PubChem CID 4124456) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate
PubChem CID4124456
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate
SMILESCc1cc(Br)c(OC(=O)Nc2ccc(F)cc2F)cc1C
InChIInChI=1S/C15H12BrF2NO2/c1-8-5-11(16)14(6-9(8)2)21-15(20)19-13-4-3-10(17)7-12(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyDBMCASYVKHKLBS-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
(2-bromo-4,5-dimethylphenyl) N-(4-ethoxyphenyl)carbamate
CID 4277992
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 3317523
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate?
The IUPAC name of (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate (CID 4124456) is (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate is Cc1cc(Br)c(OC(=O)Nc2ccc(F)cc2F)cc1C.
What is the InChIKey of (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate?
The InChIKey is DBMCASYVKHKLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-8-5-11(16)14(6-9(8)2)21-15(20)19-13-4-3-10(17)7-12(13)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate?
(2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate has a molecular weight of 356.17 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethylphenyl) N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 4124456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).