methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate

C17H16FNO4 — CID 18113005

IUPACmethyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C17H16FNO4/c1-22-15-8-3-11(9-14(15)17(21)23-2)10-19-16(20)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyPVBZTDCYBXYKMA-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.55
Rot. Bonds5

About methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate

methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate (PubChem CID 18113005) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
PubChem CID18113005
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Namemethyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C17H16FNO4/c1-22-15-8-3-11(9-14(15)17(21)23-2)10-19-16(20)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyPVBZTDCYBXYKMA-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
methyl 5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111232807
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
methyl 5-[[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111230247
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate (CID 18113005) is methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccc(F)cc2)ccc1OC.
What is the InChIKey of methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate?
The InChIKey is PVBZTDCYBXYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-22-15-8-3-11(9-14(15)17(21)23-2)10-19-16(20)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate has a molecular weight of 317.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 18113005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).