2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide

C21H27ClN2O2 — CID 11257349

IUPAC2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
SMILESO=C(NC1CCCCC1)C(c1cccc(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C21H27ClN2O2/c22-15-8-6-7-14(13-15)19(20(25)23-16-9-2-1-3-10-16)24-18-12-5-4-11-17(18)21(24)26/h6-8,13,16-19H,1-5,9-12H2,(H,23,25)/t17-,18+,19?/m1/s1
InChIKeyXCDHURCTJTVQMP-YTYFACEESA-N
MW374.91 g/mol
LogP4.23
Rot. Bonds4

About 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide

2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide (PubChem CID 11257349) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
PubChem CID11257349
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
SMILESO=C(NC1CCCCC1)C(c1cccc(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C21H27ClN2O2/c22-15-8-6-7-14(13-15)19(20(25)23-16-9-2-1-3-10-16)24-18-12-5-4-11-17(18)21(24)26/h6-8,13,16-19H,1-5,9-12H2,(H,23,25)/t17-,18+,19?/m1/s1
InChIKeyXCDHURCTJTVQMP-YTYFACEESA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 11222739
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 81371173
N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
CID 11198972
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372826
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide (CID 11257349) is 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide is O=C(NC1CCCCC1)C(c1cccc(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide?
The InChIKey is XCDHURCTJTVQMP-YTYFACEESA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-15-8-6-7-14(13-15)19(20(25)23-16-9-2-1-3-10-16)24-18-12-5-4-11-17(18)21(24)26/h6-8,13,16-19H,1-5,9-12H2,(H,23,25)/t17-,18+,19?/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide?
2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide has a molecular weight of 374.91 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide is sourced from PubChem (CID 11257349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).