2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid

C16H14FNO5 — CID 707198

IUPAC2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)O)cc1OC
InChIInChI=1S/C16H14FNO5/c1-22-13-7-10(16(20)21)12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOYJSMKVFILXJGO-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.79
Rot. Bonds5

About 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid

2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid (PubChem CID 707198) has the molecular formula C16H14FNO5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
PubChem CID707198
Molecular FormulaC16H14FNO5
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)O)cc1OC
InChIInChI=1S/C16H14FNO5/c1-22-13-7-10(16(20)21)12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOYJSMKVFILXJGO-UHFFFAOYSA-N
XLogP2.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid (CID 707198) is 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccccc2F)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The InChIKey is OYJSMKVFILXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5/c1-22-13-7-10(16(20)21)12(8-14(13)23-2)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid has a molecular weight of 319.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 707198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).