N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

C20H21ClF2N2O2 — CID 60606738

IUPACN-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccc(F)c1)CC1CCCO1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H21ClF2N2O2/c21-18-10-16(23)6-7-19(18)24-20(26)13-25(12-17-5-2-8-27-17)11-14-3-1-4-15(22)9-14/h1,3-4,6-7,9-10,17H,2,5,8,11-13H2,(H,24,26)
InChIKeyJUEVYNYKHIGURS-UHFFFAOYSA-N
MW394.85 g/mol
LogP4.24
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 60606738) has the molecular formula C20H21ClF2N2O2 and a molecular weight of 394.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID60606738
Molecular FormulaC20H21ClF2N2O2
Molecular Weight394.85 g/mol
Exact Mass394.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccc(F)c1)CC1CCCO1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H21ClF2N2O2/c21-18-10-16(23)6-7-19(18)24-20(26)13-25(12-17-5-2-8-27-17)11-14-3-1-4-15(22)9-14/h1,3-4,6-7,9-10,17H,2,5,8,11-13H2,(H,24,26)
InChIKeyJUEVYNYKHIGURS-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
N-(2,4-dichlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055179
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
CID 94477534
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181
N-(4-chloro-2-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide (CID 60606738) is N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccc(F)c1)CC1CCCO1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is JUEVYNYKHIGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O2/c21-18-10-16(23)6-7-19(18)24-20(26)13-25(12-17-5-2-8-27-17)11-14-3-1-4-15(22)9-14/h1,3-4,6-7,9-10,17H,2,5,8,11-13H2,(H,24,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 394.85 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 60606738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).