methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate

C19H17Cl2NO3 — CID 55338524

IUPACmethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C19H17Cl2NO3/c1-25-17(23)12-3-8-15(21)16(11-12)22-18(24)19(9-2-10-19)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,22,24)
InChIKeyIUSUAKGTKDXJNW-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.84
Rot. Bonds4

About methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate

methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate (PubChem CID 55338524) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
PubChem CID55338524
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Namemethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C19H17Cl2NO3/c1-25-17(23)12-3-8-15(21)16(11-12)22-18(24)19(9-2-10-19)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,22,24)
InChIKeyIUSUAKGTKDXJNW-UHFFFAOYSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[(1-phenylcyclobutanecarbonyl)amino]benzoate
CID 110438531
methyl 4-chloro-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100573422
methyl 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-chlorobenzoate
CID 52555670
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
methyl 4-chloro-3-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108972083
methyl 4-chloro-3-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982323
methyl 3-[4-(4-chloro-N-methylanilino)benzoyl]-5-[(1-phenylcyclobutanecarbonyl)amino]benzoate
CID 91269171
methyl 4-chloro-3-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100769833
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
methyl 4-chloro-3-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate
CID 2886759
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate (CID 55338524) is methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c1.
What is the InChIKey of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate?
The InChIKey is IUSUAKGTKDXJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-25-17(23)12-3-8-15(21)16(11-12)22-18(24)19(9-2-10-19)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,22,24).
What are the key properties of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate?
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate has a molecular weight of 378.26 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate is sourced from PubChem (CID 55338524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).