N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide

C20H19F3N2O3 — CID 43013842

IUPACN-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)14-9-7-13(8-10-14)18(26)25-17-6-2-1-5-16(17)19(27)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,27)(H,25,26)
InChIKeyJOHBXUZPERWITC-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.87
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide

N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 43013842) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID43013842
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)14-9-7-13(8-10-14)18(26)25-17-6-2-1-5-16(17)19(27)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,27)(H,25,26)
InChIKeyJOHBXUZPERWITC-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide (CID 43013842) is N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is JOHBXUZPERWITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)14-9-7-13(8-10-14)18(26)25-17-6-2-1-5-16(17)19(27)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,27)(H,25,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 43013842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).