methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate

C22H21F2NO7 — CID 55758851

IUPACmethyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate
SMILESCCOc1cccc2c1OCC(C(=O)Nc1cc(OC(F)F)c(OC)cc1C(=O)OC)=C2
InChIInChI=1S/C22H21F2NO7/c1-4-30-16-7-5-6-12-8-13(11-31-19(12)16)20(26)25-15-10-18(32-22(23)24)17(28-2)9-14(15)21(27)29-3/h5-10,22H,4,11H2,1-3H3,(H,25,26)
InChIKeyUEJFZMJPROQIMU-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.90
Rot. Bonds8

About methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate

methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate (PubChem CID 55758851) has the molecular formula C22H21F2NO7 and a molecular weight of 449.41 g/mol. Its IUPAC name is methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate
PubChem CID55758851
Molecular FormulaC22H21F2NO7
Molecular Weight449.41 g/mol
Exact Mass449.13
IUPAC Namemethyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate
SMILESCCOc1cccc2c1OCC(C(=O)Nc1cc(OC(F)F)c(OC)cc1C(=O)OC)=C2
InChIInChI=1S/C22H21F2NO7/c1-4-30-16-7-5-6-12-8-13(11-31-19(12)16)20(26)25-15-10-18(32-22(23)24)17(28-2)9-14(15)21(27)29-3/h5-10,22H,4,11H2,1-3H3,(H,25,26)
InChIKeyUEJFZMJPROQIMU-UHFFFAOYSA-N
XLogP3.90
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate with MolForge

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Related Compounds

methyl 2-[(2,5-difluorobenzoyl)amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55519622
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55712547
methyl 4-(difluoromethoxy)-2-[(3,5-dimethoxybenzoyl)amino]-5-methoxybenzoate
CID 55518993
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
CID 55712756
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
CID 52555320
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
methyl 4-(difluoromethoxy)-5-methoxy-2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]benzoate
CID 55913127
N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate?
The IUPAC name of methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate (CID 55758851) is methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate.
What is the SMILES notation for methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate?
The canonical SMILES for methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate is CCOc1cccc2c1OCC(C(=O)Nc1cc(OC(F)F)c(OC)cc1C(=O)OC)=C2.
What is the InChIKey of methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate?
The InChIKey is UEJFZMJPROQIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO7/c1-4-30-16-7-5-6-12-8-13(11-31-19(12)16)20(26)25-15-10-18(32-22(23)24)17(28-2)9-14(15)21(27)29-3/h5-10,22H,4,11H2,1-3H3,(H,25,26).
What are the key properties of methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate?
methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate has a molecular weight of 449.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate is sourced from PubChem (CID 55758851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).