N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C19H20F3NO2 — CID 91126455

IUPACN-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)NCCCc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-18(25,19(20,21)22)16-11-9-15(10-12-16)17(24)23-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,25H,5,8,13H2,1H3,(H,23,24)
InChIKeyYTYCMEQIERUPIZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.82
Rot. Bonds6

About N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 91126455) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID91126455
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)NCCCc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-18(25,19(20,21)22)16-11-9-15(10-12-16)17(24)23-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,25H,5,8,13H2,1H3,(H,23,24)
InChIKeyYTYCMEQIERUPIZ-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.82
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

4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607429
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide
CID 173258469
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 91126455) is N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)NCCCc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is YTYCMEQIERUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-18(25,19(20,21)22)16-11-9-15(10-12-16)17(24)23-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,25H,5,8,13H2,1H3,(H,23,24).
What are the key properties of N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 91126455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).