methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate

C16H18ClNO4 — CID 153288965

IUPACmethyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)C(NC(=O)c1ccc(Cl)cc1)C1C2CC(O)CC21
InChIInChI=1S/C16H18ClNO4/c1-22-16(21)14(13-11-6-10(19)7-12(11)13)18-15(20)8-2-4-9(17)5-3-8/h2-5,10-14,19H,6-7H2,1H3,(H,18,20)
InChIKeyQITSWKCBGHUDJG-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.63
Rot. Bonds4

About methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate

methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate (PubChem CID 153288965) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate
PubChem CID153288965
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)C(NC(=O)c1ccc(Cl)cc1)C1C2CC(O)CC21
InChIInChI=1S/C16H18ClNO4/c1-22-16(21)14(13-11-6-10(19)7-12(11)13)18-15(20)8-2-4-9(17)5-3-8/h2-5,10-14,19H,6-7H2,1H3,(H,18,20)
InChIKeyQITSWKCBGHUDJG-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate with MolForge

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Related Compounds

4-chloro-N-propan-2-ylbenzamide
CID 24045
methyl (2S)-2-[(1S,5R)-6-[(1S)-1-[(4-chlorobenzoyl)amino]propyl]-3-bicyclo[3.1.0]hexanyl]-2-phenylacetate
CID 153288998
2-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxopropanoate
CID 71330930
dimethyl (2S)-2-[(4-chlorobenzoyl)amino]pentanedioate
CID 52694056
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 167989234
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
methyl 2-chloro-3-(4-chlorophenyl)-3-oxopropanoate
CID 82479665
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
CID 147474562
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate?
The IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate (CID 153288965) is methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate.
What is the SMILES notation for methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate?
The canonical SMILES for methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate is COC(=O)C(NC(=O)c1ccc(Cl)cc1)C1C2CC(O)CC21.
What is the InChIKey of methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate?
The InChIKey is QITSWKCBGHUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-22-16(21)14(13-11-6-10(19)7-12(11)13)18-15(20)8-2-4-9(17)5-3-8/h2-5,10-14,19H,6-7H2,1H3,(H,18,20).
What are the key properties of methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate?
methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate has a molecular weight of 323.78 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate is sourced from PubChem (CID 153288965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).