methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate

C19H18ClFN2O3 — CID 113214388

IUPACmethyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H18ClFN2O3/c1-26-17(24)12-2-7-15(20)16(10-12)23-18(25)22-11-19(8-9-19)13-3-5-14(21)6-4-13/h2-7,10H,8-9,11H2,1H3,(H2,22,23,25)
InChIKeyLXADCMXPVUJVID-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.12
Rot. Bonds5

About methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate

methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate (PubChem CID 113214388) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
PubChem CID113214388
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Namemethyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)NCC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H18ClFN2O3/c1-26-17(24)12-2-7-15(20)16(10-12)23-18(25)22-11-19(8-9-19)13-3-5-14(21)6-4-13/h2-7,10H,8-9,11H2,1H3,(H2,22,23,25)
InChIKeyLXADCMXPVUJVID-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 4-chloro-3-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987036
methyl 4-chloro-3-[2-(dimethylamino)ethylcarbamoylamino]benzoate
CID 108988233
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
CID 55338524
methyl 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-chlorobenzoate
CID 52555670
methyl 4-chloro-3-(oxolan-2-ylmethylcarbamoylamino)benzoate
CID 110706569
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate (CID 113214388) is methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)NCC2(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate?
The InChIKey is LXADCMXPVUJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-26-17(24)12-2-7-15(20)16(10-12)23-18(25)22-11-19(8-9-19)13-3-5-14(21)6-4-13/h2-7,10H,8-9,11H2,1H3,(H2,22,23,25).
What are the key properties of methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate?
methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate has a molecular weight of 376.82 g/mol, XLogP of 4.12, 5 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-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate is sourced from PubChem (CID 113214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).