methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate

C16H17FN2O4 — CID 71917452

IUPACmethyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N(C)Cc2ccoc2C)cc1F
InChIInChI=1S/C16H17FN2O4/c1-10-11(6-7-23-10)9-19(2)16(21)18-12-4-5-13(14(17)8-12)15(20)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyOBIAQAHWCFHPLG-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.18
Rot. Bonds4

About methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate

methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate (PubChem CID 71917452) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
PubChem CID71917452
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Namemethyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N(C)Cc2ccoc2C)cc1F
InChIInChI=1S/C16H17FN2O4/c1-10-11(6-7-23-10)9-19(2)16(21)18-12-4-5-13(14(17)8-12)15(20)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyOBIAQAHWCFHPLG-UHFFFAOYSA-N
XLogP3.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
CID 71969096
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
2-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380894
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
ethyl 2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]acetate
CID 47377436
2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107796472
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55701949
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate?
The IUPAC name of methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate (CID 71917452) is methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)N(C)Cc2ccoc2C)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate?
The InChIKey is OBIAQAHWCFHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-10-11(6-7-23-10)9-19(2)16(21)18-12-4-5-13(14(17)8-12)15(20)22-3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate?
methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate has a molecular weight of 320.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate is sourced from PubChem (CID 71917452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).