N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide

C20H18F3NO3 — CID 101497497

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc([C@H]2C[C@@H]2C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18F3NO3/c1-11-8-12(15-10-16(15)20(21,22)23)2-4-14(11)19(25)24-13-3-5-17-18(9-13)27-7-6-26-17/h2-5,8-9,15-16H,6-7,10H2,1H3,(H,24,25)/t15-,16+/m1/s1
InChIKeyYLZVFRBNAFVNTC-CVEARBPZSA-N
MW377.36 g/mol
LogP4.68
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 101497497) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID101497497
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc([C@H]2C[C@@H]2C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H18F3NO3/c1-11-8-12(15-10-16(15)20(21,22)23)2-4-14(11)19(25)24-13-3-5-17-18(9-13)27-7-6-26-17/h2-5,8-9,15-16H,6-7,10H2,1H3,(H,24,25)/t15-,16+/m1/s1
InChIKeyYLZVFRBNAFVNTC-CVEARBPZSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide (CID 101497497) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide is Cc1cc([C@H]2C[C@@H]2C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is YLZVFRBNAFVNTC-CVEARBPZSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-11-8-12(15-10-16(15)20(21,22)23)2-4-14(11)19(25)24-13-3-5-17-18(9-13)27-7-6-26-17/h2-5,8-9,15-16H,6-7,10H2,1H3,(H,24,25)/t15-,16+/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 377.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 101497497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).