2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid

C18H17F2NO6 — CID 8005134

IUPAC2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
SMILESCCOc1cc(NC(=O)c2ccccc2OC(F)F)c(C(=O)O)cc1OC
InChIInChI=1S/C18H17F2NO6/c1-3-26-15-9-12(11(17(23)24)8-14(15)25-2)21-16(22)10-6-4-5-7-13(10)27-18(19)20/h4-9,18H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLLYHJYPMMPFHJJ-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.65
Rot. Bonds8

About 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid

2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid (PubChem CID 8005134) has the molecular formula C18H17F2NO6 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
PubChem CID8005134
Molecular FormulaC18H17F2NO6
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
SMILESCCOc1cc(NC(=O)c2ccccc2OC(F)F)c(C(=O)O)cc1OC
InChIInChI=1S/C18H17F2NO6/c1-3-26-15-9-12(11(17(23)24)8-14(15)25-2)21-16(22)10-6-4-5-7-13(10)27-18(19)20/h4-9,18H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLLYHJYPMMPFHJJ-UHFFFAOYSA-N
XLogP3.65
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
N-(4-amino-2,5-diethoxyphenyl)-2-methoxybenzamide
CID 23464291
4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 16774874
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid?
The IUPAC name of 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid (CID 8005134) is 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid?
The canonical SMILES for 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid is CCOc1cc(NC(=O)c2ccccc2OC(F)F)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid?
The InChIKey is LLYHJYPMMPFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO6/c1-3-26-15-9-12(11(17(23)24)8-14(15)25-2)21-16(22)10-6-4-5-7-13(10)27-18(19)20/h4-9,18H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid?
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid has a molecular weight of 381.33 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid is sourced from PubChem (CID 8005134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).