methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate

C16H14ClFN2O3 — CID 108896675

IUPACmethyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-23-15(21)11-7-5-10(6-8-11)9-19-16(22)20-14-12(17)3-2-4-13(14)18/h2-8H,9H2,1H3,(H2,19,20,22)
InChIKeyONEJWYHNPMOSMK-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.59
Rot. Bonds4

About methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate

methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate (PubChem CID 108896675) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
PubChem CID108896675
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Namemethyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-23-15(21)11-7-5-10(6-8-11)9-19-16(22)20-14-12(17)3-2-4-13(14)18/h2-8H,9H2,1H3,(H2,19,20,22)
InChIKeyONEJWYHNPMOSMK-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate with MolForge

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652
(2S)-3-[(2-chloro-6-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007759
methyl 4-[[[6-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamoylamino]methyl]benzoate
CID 54500440

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate (CID 108896675) is methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)Nc2c(F)cccc2Cl)cc1.
What is the InChIKey of methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate?
The InChIKey is ONEJWYHNPMOSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-23-15(21)11-7-5-10(6-8-11)9-19-16(22)20-14-12(17)3-2-4-13(14)18/h2-8H,9H2,1H3,(H2,19,20,22).
What are the key properties of methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate?
methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate has a molecular weight of 336.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate is sourced from PubChem (CID 108896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).