methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate

C17H17FN2O5 — CID 888737

IUPACmethyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O5/c1-23-14-8-10(16(21)25-3)13(9-15(14)24-2)20-17(22)19-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H2,19,20,22)
InChIKeyYOXSGVHBPHUOFI-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.27
Rot. Bonds5

About methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate

methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate (PubChem CID 888737) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
PubChem CID888737
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Namemethyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN2O5/c1-23-14-8-10(16(21)25-3)13(9-15(14)24-2)20-17(22)19-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H2,19,20,22)
InChIKeyYOXSGVHBPHUOFI-UHFFFAOYSA-N
XLogP3.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120081
Methyl 4,5-dimethoxyanthranilate
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4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
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2-[(3-Chlorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 915930
2-(3-Ethyl-ureido)-4,5-dimethoxy-benzoic acid
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2-[(2-Benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoic acid
CID 1311451
Methyl 4,5-dimethoxy-2-(pyrrolidine-1-carbothioylamino)benzoate
CID 1946601
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792
6,7-dimethoxy-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718445
2-fluoro-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1510062
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 650223

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate (CID 888737) is methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
The InChIKey is YOXSGVHBPHUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-23-14-8-10(16(21)25-3)13(9-15(14)24-2)20-17(22)19-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H2,19,20,22).
What are the key properties of methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate?
methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate has a molecular weight of 348.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 888737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).