N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

C16H21ClN2O2 — CID 31321499

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-12(13-7-4-5-8-14(13)17)18-15(20)11-19-10-6-2-3-9-16(19)21/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyCYCVFXHZQOBEMX-GFCCVEGCSA-N
MW308.81 g/mol
LogP2.92
Rot. Bonds4

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 31321499) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID31321499
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-12(13-7-4-5-8-14(13)17)18-15(20)11-19-10-6-2-3-9-16(19)21/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyCYCVFXHZQOBEMX-GFCCVEGCSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
CID 107314795
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 92508260
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[1-(2-chlorophenyl)ethyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46647086
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 31321499) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is CYCVFXHZQOBEMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12(13-7-4-5-8-14(13)17)18-15(20)11-19-10-6-2-3-9-16(19)21/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 31321499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).