N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

C17H22F2N2O3 — CID 94107373

IUPACN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCCCCC1=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H22F2N2O3/c1-12(13-6-5-7-14(10-13)24-17(18)19)20-15(22)11-21-9-4-2-3-8-16(21)23/h5-7,10,12,17H,2-4,8-9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyRGZYRAJJZTUJRO-GFCCVEGCSA-N
MW340.37 g/mol
LogP2.87
Rot. Bonds6

About N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 94107373) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID94107373
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCCCCC1=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H22F2N2O3/c1-12(13-6-5-7-14(10-13)24-17(18)19)20-15(22)11-21-9-4-2-3-8-16(21)23/h5-7,10,12,17H,2-4,8-9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyRGZYRAJJZTUJRO-GFCCVEGCSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856148
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 94107373) is N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is C[C@@H](NC(=O)CN1CCCCCC1=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is RGZYRAJJZTUJRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-12(13-6-5-7-14(10-13)24-17(18)19)20-15(22)11-21-9-4-2-3-8-16(21)23/h5-7,10,12,17H,2-4,8-9,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 94107373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).