2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate

C19H12F2NO4S- — CID 59060335

IUPAC2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
SMILESO=C(Nc1ccc(OCc2cccs2)cc1C(=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C19H13F2NO4S/c20-11-3-5-14(16(21)8-11)18(23)22-17-6-4-12(9-15(17)19(24)25)26-10-13-2-1-7-27-13/h1-9H,10H2,(H,22,23)(H,24,25)/p-1
InChIKeyIVHZGZCFPAVDRE-UHFFFAOYSA-M
MW388.37 g/mol
LogP3.22
Rot. Bonds6

About 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate

2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate (PubChem CID 59060335) has the molecular formula C19H12F2NO4S- and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
PubChem CID59060335
Molecular FormulaC19H12F2NO4S-
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC Name2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
SMILESO=C(Nc1ccc(OCc2cccs2)cc1C(=O)[O-])c1ccc(F)cc1F
InChIInChI=1S/C19H13F2NO4S/c20-11-3-5-14(16(21)8-11)18(23)22-17-6-4-12(9-15(17)19(24)25)26-10-13-2-1-7-27-13/h1-9H,10H2,(H,22,23)(H,24,25)/p-1
InChIKeyIVHZGZCFPAVDRE-UHFFFAOYSA-M
XLogP3.22
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide
CID 142203090
N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 37345134
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771142
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate?
The IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate (CID 59060335) is 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate is O=C(Nc1ccc(OCc2cccs2)cc1C(=O)[O-])c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate?
The InChIKey is IVHZGZCFPAVDRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13F2NO4S/c20-11-3-5-14(16(21)8-11)18(23)22-17-6-4-12(9-15(17)19(24)25)26-10-13-2-1-7-27-13/h1-9H,10H2,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate?
2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate has a molecular weight of 388.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate is sourced from PubChem (CID 59060335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).