methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate

C18H16Cl2N2O3 — CID 113215518

IUPACmethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-16(23)11-2-7-14(20)15(10-11)21-17(24)22-18(8-9-18)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,21,22,24)
InChIKeyUXRJWDQWGSSTCS-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.59
Rot. Bonds4

About methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate

methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate (PubChem CID 113215518) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
PubChem CID113215518
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Namemethyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-25-16(23)11-2-7-14(20)15(10-11)21-17(24)22-18(8-9-18)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,21,22,24)
InChIKeyUXRJWDQWGSSTCS-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
CID 55338524
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
CID 113214388
methyl 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-chlorobenzoate
CID 52555670
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100573422
methyl 4-chloro-3-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100769833
methyl 4-chloro-3-[(1-phenylcyclobutanecarbonyl)amino]benzoate
CID 110438531
methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
methyl 4-chloro-3-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982323
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate (CID 113215518) is methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate?
The InChIKey is UXRJWDQWGSSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-25-16(23)11-2-7-14(20)15(10-11)21-17(24)22-18(8-9-18)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,21,22,24).
What are the key properties of methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate?
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate has a molecular weight of 379.24 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate is sourced from PubChem (CID 113215518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).