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

C14H9BrF3NO — CID 788568

IUPAC4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20)
InChIKeyURMINAWTHPPDQD-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.72
Rot. Bonds2

About 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide

4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 788568) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID788568
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC Name4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20)
InChIKeyURMINAWTHPPDQD-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

3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-bromobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791617
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-bromo-5-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107951405
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide (CID 788568) is 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is URMINAWTHPPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide?
4-bromo-N-[3-(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 4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 788568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).