3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H14BrF3N2O2 — CID 54791205

IUPAC3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrF3N2O2/c22-16-9-7-13(8-10-16)19(28)26-17-5-1-3-14(11-17)20(29)27-18-6-2-4-15(12-18)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyFNDDYPZPTUYFDS-UHFFFAOYSA-N
MW463.25 g/mol
LogP5.97
Rot. Bonds4

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

3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54791205) has the molecular formula C21H14BrF3N2O2 and a molecular weight of 463.25 g/mol. Its IUPAC name is 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54791205
Molecular FormulaC21H14BrF3N2O2
Molecular Weight463.25 g/mol
Exact Mass462.02
IUPAC Name3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrF3N2O2/c22-16-9-7-13(8-10-16)19(28)26-17-5-1-3-14(11-17)20(29)27-18-6-2-4-15(12-18)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyFNDDYPZPTUYFDS-UHFFFAOYSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.25
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-[(4-bromobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791617
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54791205) is 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FNDDYPZPTUYFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrF3N2O2/c22-16-9-7-13(8-10-16)19(28)26-17-5-1-3-14(11-17)20(29)27-18-6-2-4-15(12-18)21(23,24)25/h1-12H,(H,26,28)(H,27,29).
What are the key properties of 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 463.25 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54791205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).