N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C17H16F2N2O3 — CID 9376473

IUPACN-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3/c1-10(11-2-4-13(18)14(19)6-11)20-8-17(22)21-12-3-5-15-16(7-12)24-9-23-15/h2-7,10,20H,8-9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyBBSQEVFMAVWGFL-SNVBAGLBSA-N
MW334.32 g/mol
LogP2.98
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9376473) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9376473
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3/c1-10(11-2-4-13(18)14(19)6-11)20-8-17(22)21-12-3-5-15-16(7-12)24-9-23-15/h2-7,10,20H,8-9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyBBSQEVFMAVWGFL-SNVBAGLBSA-N
XLogP2.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 40789522
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 40813476
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9376473) is N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is BBSQEVFMAVWGFL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10(11-2-4-13(18)14(19)6-11)20-8-17(22)21-12-3-5-15-16(7-12)24-9-23-15/h2-7,10,20H,8-9H2,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 334.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9376473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).