methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate

C18H16FNO3 — CID 110424094

IUPACmethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16FNO3/c1-23-16(21)12-6-2-5-9-15(12)20-17(22)18(10-11-18)13-7-3-4-8-14(13)19/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUGZVDZOUVLVXLR-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.28
Rot. Bonds4

About methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate

methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 110424094) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID110424094
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16FNO3/c1-23-16(21)12-6-2-5-9-15(12)20-17(22)18(10-11-18)13-7-3-4-8-14(13)19/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUGZVDZOUVLVXLR-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110428357
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
N-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134709973
methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
CID 63121892
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate (CID 110424094) is methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is UGZVDZOUVLVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-23-16(21)12-6-2-5-9-15(12)20-17(22)18(10-11-18)13-7-3-4-8-14(13)19/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 313.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 110424094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).