N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H14BrF4NO — CID 103753587

IUPACN-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H14BrF4NO/c15-11-5-4-10(16)7-12(11)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9H,1-3,6H2,(H,20,21)
InChIKeyHYUFAWQEZYFWDC-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.90
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103753587) has the molecular formula C14H14BrF4NO and a molecular weight of 368.17 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103753587
Molecular FormulaC14H14BrF4NO
Molecular Weight368.17 g/mol
Exact Mass367.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H14BrF4NO/c15-11-5-4-10(16)7-12(11)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9H,1-3,6H2,(H,20,21)
InChIKeyHYUFAWQEZYFWDC-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942
N-(2-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103753587) is N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1cc(F)ccc1Br)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HYUFAWQEZYFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF4NO/c15-11-5-4-10(16)7-12(11)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h4-5,7-9H,1-3,6H2,(H,20,21).
What are the key properties of N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 368.17 g/mol, XLogP of 4.90, 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-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103753587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).