N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide

C20H20F3NO3 — CID 78798860

IUPACN-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)16-9-7-14(8-10-16)19(26)24(13-17-5-3-11-27-17)12-15-4-1-2-6-18(15)25/h1-2,4,6-10,17,25H,3,5,11-13H2
InChIKeyVACIDCLKJYGNCU-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide

N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 78798860) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID78798860
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)16-9-7-14(8-10-16)19(26)24(13-17-5-3-11-27-17)12-15-4-1-2-6-18(15)25/h1-2,4,6-10,17,25H,3,5,11-13H2
InChIKeyVACIDCLKJYGNCU-UHFFFAOYSA-N
XLogP4.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[(2-hydroxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520023
N-[(2-hydroxyphenyl)methyl]-1,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95771309
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 55389257
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
3-benzyl-1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 42996165
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 4565380

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide (CID 78798860) is N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1O)CC1CCCO1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is VACIDCLKJYGNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c21-20(22,23)16-9-7-14(8-10-16)19(26)24(13-17-5-3-11-27-17)12-15-4-1-2-6-18(15)25/h1-2,4,6-10,17,25H,3,5,11-13H2.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 379.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 78798860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).