methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate

C21H21ClN2O4 — CID 60606151

IUPACmethyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C21H21ClN2O4/c1-28-18(25)13-23-19(26)14-3-9-17(10-4-14)24-20(27)21(11-2-12-21)15-5-7-16(22)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyWXBKWPYDOSUSOG-UHFFFAOYSA-N
MW400.86 g/mol
LogP3.30
Rot. Bonds6

About methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate (PubChem CID 60606151) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
PubChem CID60606151
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Namemethyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C21H21ClN2O4/c1-28-18(25)13-23-19(26)14-3-9-17(10-4-14)24-20(27)21(11-2-12-21)15-5-7-16(22)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyWXBKWPYDOSUSOG-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072
N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
CID 55878815
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate (CID 60606151) is methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1.
What is the InChIKey of methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate?
The InChIKey is WXBKWPYDOSUSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-28-18(25)13-23-19(26)14-3-9-17(10-4-14)24-20(27)21(11-2-12-21)15-5-7-16(22)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate has a molecular weight of 400.86 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 60606151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).