N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide

C14H9BrF3NO — CID 65490452

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-10(14(16,17)18)7-12(8-11)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyPBULXZINCCIJRM-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.72
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide

N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 65490452) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
PubChem CID65490452
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-10(14(16,17)18)7-12(8-11)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyPBULXZINCCIJRM-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-5-(trifluoromethyl)phenyl]-3-phenylthiourea
CID 115662379
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 65490043
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide
CID 134101759
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide (CID 65490452) is N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PBULXZINCCIJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-11-6-10(14(16,17)18)7-12(8-11)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 344.13 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 65490452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).