2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

C15H18Cl2F2N2O3 — CID 120795550

IUPAC2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CCOCC1
InChIInChI=1S/C15H18Cl2F2N2O3/c16-10-5-9(13(11(17)6-10)24-15(18)19)7-21-14(22)12(20)8-1-3-23-4-2-8/h5-6,8,12,15H,1-4,7,20H2,(H,21,22)
InChIKeyQSWUSCMVTSATTO-UHFFFAOYSA-N
MW383.22 g/mol
LogP2.96
Rot. Bonds6

About 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120795550) has the molecular formula C15H18Cl2F2N2O3 and a molecular weight of 383.22 g/mol. Its IUPAC name is 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120795550
Molecular FormulaC15H18Cl2F2N2O3
Molecular Weight383.22 g/mol
Exact Mass382.07
IUPAC Name2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CCOCC1
InChIInChI=1S/C15H18Cl2F2N2O3/c16-10-5-9(13(11(17)6-10)24-15(18)19)7-21-14(22)12(20)8-1-3-23-4-2-8/h5-6,8,12,15H,1-4,7,20H2,(H,21,22)
InChIKeyQSWUSCMVTSATTO-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119810633
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795791
2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977003
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120787188
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120795550) is 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is QSWUSCMVTSATTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2F2N2O3/c16-10-5-9(13(11(17)6-10)24-15(18)19)7-21-14(22)12(20)8-1-3-23-4-2-8/h5-6,8,12,15H,1-4,7,20H2,(H,21,22).
What are the key properties of 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 383.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).