methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate

C19H19F2NO5 — CID 8920037

IUPACmethyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
SMILESCCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)ccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-4-26-16-10-12(7-8-15(16)27-19(20)21)17(23)22-14-9-13(18(24)25-3)6-5-11(14)2/h5-10,19H,4H2,1-3H3,(H,22,23)
InChIKeyLMLWSJOYJSSVQP-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.03
Rot. Bonds7

About methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate

methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate (PubChem CID 8920037) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
PubChem CID8920037
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Namemethyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
SMILESCCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)ccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-4-26-16-10-12(7-8-15(16)27-19(20)21)17(23)22-14-9-13(18(24)25-3)6-5-11(14)2/h5-10,19H,4H2,1-3H3,(H,22,23)
InChIKeyLMLWSJOYJSSVQP-UHFFFAOYSA-N
XLogP4.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274
methyl 3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-methylbenzoate
CID 4811539
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate (CID 8920037) is methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate is CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)ccc1OC(F)F.
What is the InChIKey of methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate?
The InChIKey is LMLWSJOYJSSVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-4-26-16-10-12(7-8-15(16)27-19(20)21)17(23)22-14-9-13(18(24)25-3)6-5-11(14)2/h5-10,19H,4H2,1-3H3,(H,22,23).
What are the key properties of methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate?
methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate has a molecular weight of 379.36 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 8920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).