N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide

C14H15BrClF2NO — CID 104723881

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H15BrClF2NO/c1-8-6-10(15)12(7-11(8)16)19-13(20)9-2-4-14(17,18)5-3-9/h6-7,9H,2-5H2,1H3,(H,19,20)
InChIKeyQULHXTZLVFVBBB-UHFFFAOYSA-N
MW366.63 g/mol
LogP5.17
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 104723881) has the molecular formula C14H15BrClF2NO and a molecular weight of 366.63 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID104723881
Molecular FormulaC14H15BrClF2NO
Molecular Weight366.63 g/mol
Exact Mass365.00
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H15BrClF2NO/c1-8-6-10(15)12(7-11(8)16)19-13(20)9-2-4-14(17,18)5-3-9/h6-7,9H,2-5H2,1H3,(H,19,20)
InChIKeyQULHXTZLVFVBBB-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
CID 104723899
3-[(2-bromo-5-chloro-4-methylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104722402
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 104724093
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
(2S)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]propanoic acid
CID 104724709
N-(2-bromo-5-methyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 82747329
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723624
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide (CID 104723881) is N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide is Cc1cc(Br)c(NC(=O)C2CCC(F)(F)CC2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is QULHXTZLVFVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClF2NO/c1-8-6-10(15)12(7-11(8)16)19-13(20)9-2-4-14(17,18)5-3-9/h6-7,9H,2-5H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 366.63 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 104723881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).