methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate

C14H16FNO4 — CID 138013256

IUPACmethyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(F)cc1NC(=O)C1CC1C
InChIInChI=1S/C14H16FNO4/c1-7-4-8(7)13(17)16-11-6-10(15)12(19-2)5-9(11)14(18)20-3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYFBTXISAIRBRRH-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.22
Rot. Bonds4

About methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate

methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate (PubChem CID 138013256) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
PubChem CID138013256
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namemethyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(F)cc1NC(=O)C1CC1C
InChIInChI=1S/C14H16FNO4/c1-7-4-8(7)13(17)16-11-6-10(15)12(19-2)5-9(11)14(18)20-3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYFBTXISAIRBRRH-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1R,2S)-2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoate
CID 97184245
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55523317
[2-(azocan-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55401573
methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
CID 78869714
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55311724
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941976

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate (CID 138013256) is methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate is COC(=O)c1cc(OC)c(F)cc1NC(=O)C1CC1C.
What is the InChIKey of methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The InChIKey is YFBTXISAIRBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-7-4-8(7)13(17)16-11-6-10(15)12(19-2)5-9(11)14(18)20-3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate has a molecular weight of 281.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate is sourced from PubChem (CID 138013256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).