methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate

C15H18ClNO3 — CID 146204018

IUPACmethyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(C)CC(C)(NC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClNO3/c1-14(13(19)20-3)8-15(2,9-14)17-12(18)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyAZHXLMGVSNDORI-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.80
Rot. Bonds3

About methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate

methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate (PubChem CID 146204018) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate
PubChem CID146204018
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(C)CC(C)(NC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClNO3/c1-14(13(19)20-3)8-15(2,9-14)17-12(18)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyAZHXLMGVSNDORI-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-propan-2-ylbenzamide
CID 669184
methyl 2-[3-[(3-chlorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-3-hydroxy-2-(hydroxymethyl)propanoate
CID 162499050
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide
CID 163615614
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
3-chloro-N'-(methylperoxymethyl)benzohydrazide
CID 163583814
methyl 2-(1-adamantyl)-2-[(3-chlorobenzoyl)amino]acetate
CID 2882583
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
methyl 3-chlorobenzenecarboperoxoate
CID 118256511

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate (CID 146204018) is methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate is COC(=O)C1(C)CC(C)(NC(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is AZHXLMGVSNDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-14(13(19)20-3)8-15(2,9-14)17-12(18)10-5-4-6-11(16)7-10/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate?
methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 146204018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).