N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide

C15H7BrClF6NO — CID 2268598

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25)
InChIKeyZGIOUSZKVBAGCD-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.39
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide (PubChem CID 2268598) has the molecular formula C15H7BrClF6NO and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
PubChem CID2268598
Molecular FormulaC15H7BrClF6NO
Molecular Weight446.57 g/mol
Exact Mass444.93
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25)
InChIKeyZGIOUSZKVBAGCD-UHFFFAOYSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
CID 87748784
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide (CID 2268598) is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The InChIKey is ZGIOUSZKVBAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide has a molecular weight of 446.57 g/mol, XLogP of 6.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 2268598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).