methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate

C17H15ClF2N2O4 — CID 47024991

IUPACmethyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NCC(=O)Nc2cc(Cl)ccc2OC)c(F)cc1F
InChIInChI=1S/C17H15ClF2N2O4/c1-25-15-4-3-9(18)5-14(15)22-16(23)8-21-13-6-10(17(24)26-2)11(19)7-12(13)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyYFZWPKLEYDFOAC-UHFFFAOYSA-N
MW384.77 g/mol
LogP3.46
Rot. Bonds6

About methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate

methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate (PubChem CID 47024991) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate
PubChem CID47024991
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC Namemethyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NCC(=O)Nc2cc(Cl)ccc2OC)c(F)cc1F
InChIInChI=1S/C17H15ClF2N2O4/c1-25-15-4-3-9(18)5-14(15)22-16(23)8-21-13-6-10(17(24)26-2)11(19)7-12(13)20/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeyYFZWPKLEYDFOAC-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104092
N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate (CID 47024991) is methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate is COC(=O)c1cc(NCC(=O)Nc2cc(Cl)ccc2OC)c(F)cc1F.
What is the InChIKey of methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate?
The InChIKey is YFZWPKLEYDFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-25-15-4-3-9(18)5-14(15)22-16(23)8-21-13-6-10(17(24)26-2)11(19)7-12(13)20/h3-7,21H,8H2,1-2H3,(H,22,23).
What are the key properties of methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate?
methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate has a molecular weight of 384.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate is sourced from PubChem (CID 47024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).