N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide

C22H12Br2F6N2O2 — CID 87572853

IUPACN-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1C(F)(F)F)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H12Br2F6N2O2/c23-12-9-16(22(28,29)30)18(17(24)10-12)32-19(33)11-4-3-5-13(8-11)31-20(34)14-6-1-2-7-15(14)21(25,26)27/h1-10H,(H,31,34)(H,32,33)
InChIKeyUDCGTBQPDCRDSE-UHFFFAOYSA-N
MW610.15 g/mol
LogP7.75
Rot. Bonds4

About N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide

N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 87572853) has the molecular formula C22H12Br2F6N2O2 and a molecular weight of 610.15 g/mol. Its IUPAC name is N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID87572853
Molecular FormulaC22H12Br2F6N2O2
Molecular Weight610.15 g/mol
Exact Mass607.92
IUPAC NameN-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1C(F)(F)F)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C22H12Br2F6N2O2/c23-12-9-16(22(28,29)30)18(17(24)10-12)32-19(33)11-4-3-5-13(8-11)31-20(34)14-6-1-2-7-15(14)21(25,26)27/h1-10H,(H,31,34)(H,32,33)
InChIKeyUDCGTBQPDCRDSE-UHFFFAOYSA-N
XLogP7.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.15
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-[3-[[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-iodopyridine-3-carboxamide
CID 87289066
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[3-[[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-chloropyridine-3-carboxamide
CID 87288929
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
2-chloro-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 87288749
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide (CID 87572853) is N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1c(Br)cc(Br)cc1C(F)(F)F)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is UDCGTBQPDCRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Br2F6N2O2/c23-12-9-16(22(28,29)30)18(17(24)10-12)32-19(33)11-4-3-5-13(8-11)31-20(34)14-6-1-2-7-15(14)21(25,26)27/h1-10H,(H,31,34)(H,32,33).
What are the key properties of N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 610.15 g/mol, XLogP of 7.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 87572853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).