4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C26H22BrF5N2O2 — CID 172609690

IUPAC4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2-c2ccc(C(F)(F)F)cc2)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C26H22BrF5N2O2/c1-36-23-9-7-19(15-22(23)34-12-10-25(28,29)11-13-34)33-24(35)20-8-6-18(27)14-21(20)16-2-4-17(5-3-16)26(30,31)32/h2-9,14-15H,10-13H2,1H3,(H,33,35)
InChIKeyRECZGPUGQPHPTM-UHFFFAOYSA-N
MW569.37 g/mol
LogP7.63
Rot. Bonds5

About 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 172609690) has the molecular formula C26H22BrF5N2O2 and a molecular weight of 569.37 g/mol. Its IUPAC name is 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID172609690
Molecular FormulaC26H22BrF5N2O2
Molecular Weight569.37 g/mol
Exact Mass568.08
IUPAC Name4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2-c2ccc(C(F)(F)F)cc2)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C26H22BrF5N2O2/c1-36-23-9-7-19(15-22(23)34-12-10-25(28,29)11-13-34)33-24(35)20-8-6-18(27)14-21(20)16-2-4-17(5-3-16)26(30,31)32/h2-9,14-15H,10-13H2,1H3,(H,33,35)
InChIKeyRECZGPUGQPHPTM-UHFFFAOYSA-N
XLogP7.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.37
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-cyclopropylphenyl)-N-[3-(4,4-difluoropiperidin-1-yl)phenyl]benzamide
CID 172609672
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2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
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4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
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4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 172609690) is 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Br)cc2-c2ccc(C(F)(F)F)cc2)cc1N1CCC(F)(F)CC1.
What is the InChIKey of 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RECZGPUGQPHPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrF5N2O2/c1-36-23-9-7-19(15-22(23)34-12-10-25(28,29)11-13-34)33-24(35)20-8-6-18(27)14-21(20)16-2-4-17(5-3-16)26(30,31)32/h2-9,14-15H,10-13H2,1H3,(H,33,35).
What are the key properties of 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 569.37 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4,4-difluoropiperidin-1-yl)-4-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 172609690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).