5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide

C18H18F4N2O — CID 119429718

IUPAC5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCNCCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O/c1-23-8-3-9-24-17(25)16-11-14(19)6-7-15(16)12-4-2-5-13(10-12)18(20,21)22/h2,4-7,10-11,23H,3,8-9H2,1H3,(H,24,25)
InChIKeyJNFAHQWHVJLRGU-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.85
Rot. Bonds6

About 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 119429718) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID119429718
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCNCCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O/c1-23-8-3-9-24-17(25)16-11-14(19)6-7-15(16)12-4-2-5-13(10-12)18(20,21)22/h2,4-7,10-11,23H,3,8-9H2,1H3,(H,24,25)
InChIKeyJNFAHQWHVJLRGU-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 166180357
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834460
5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834568
3-methyl-N-[2-(methylamino)ethyl]-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119501530
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120810092
N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151299396
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120658295
3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide (CID 119429718) is 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide is CNCCCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JNFAHQWHVJLRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c1-23-8-3-9-24-17(25)16-11-14(19)6-7-15(16)12-4-2-5-13(10-12)18(20,21)22/h2,4-7,10-11,23H,3,8-9H2,1H3,(H,24,25).
What are the key properties of 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 354.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 119429718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).