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

C18H16BrF3N2O2 — CID 25402488

IUPAC4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16BrF3N2O2/c19-15-7-3-13(4-8-15)17(26)23-10-9-16(25)24-11-12-1-5-14(6-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeyBHVIMUFVJYVYAR-UHFFFAOYSA-N
MW429.24 g/mol
LogP3.90
Rot. Bonds6

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

4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide (PubChem CID 25402488) has the molecular formula C18H16BrF3N2O2 and a molecular weight of 429.24 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
PubChem CID25402488
Molecular FormulaC18H16BrF3N2O2
Molecular Weight429.24 g/mol
Exact Mass428.03
IUPAC Name4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16BrF3N2O2/c19-15-7-3-13(4-8-15)17(26)23-10-9-16(25)24-11-12-1-5-14(6-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25)
InChIKeyBHVIMUFVJYVYAR-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
4-bromo-N-[3-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]propyl]benzamide
CID 41311410
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide (CID 25402488) is 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The InChIKey is BHVIMUFVJYVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O2/c19-15-7-3-13(4-8-15)17(26)23-10-9-16(25)24-11-12-1-5-14(6-2-12)18(20,21)22/h1-8H,9-11H2,(H,23,26)(H,24,25).
What are the key properties of 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide has a molecular weight of 429.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 25402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).