N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C19H20F3NO3 — CID 55484171

IUPACN-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c20-19(21,22)14-25-13-15-7-9-16(10-8-15)18(24)23-11-4-12-26-17-5-2-1-3-6-17/h1-3,5-10H,4,11-14H2,(H,23,24)
InChIKeyNAODXQCJTSUZKD-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.96
Rot. Bonds9

About N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55484171) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55484171
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCCCOc1ccccc1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c20-19(21,22)14-25-13-15-7-9-16(10-8-15)18(24)23-11-4-12-26-17-5-2-1-3-6-17/h1-3,5-10H,4,11-14H2,(H,23,24)
InChIKeyNAODXQCJTSUZKD-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylmethoxypropyl)benzamide
CID 60701514
4-prop-2-enoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86930576
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
2-phenoxy-3-[4-[2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]ethoxy]phenyl]propanoic acid
CID 10347504
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
CID 24672965
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18206073

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55484171) is N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NCCCOc1ccccc1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is NAODXQCJTSUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c20-19(21,22)14-25-13-15-7-9-16(10-8-15)18(24)23-11-4-12-26-17-5-2-1-3-6-17/h1-3,5-10H,4,11-14H2,(H,23,24).
What are the key properties of N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 367.37 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).