[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate

C20H18F2N2O5 — CID 7291060

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H18F2N2O5/c21-20(22)29-14-9-5-12(6-10-14)19(27)28-11-17(25)24-16-4-2-1-3-15(16)18(26)23-13-7-8-13/h1-6,9-10,13,20H,7-8,11H2,(H,23,26)(H,24,25)
InChIKeyRQWCGWFCQIVARB-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.98
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate (PubChem CID 7291060) has the molecular formula C20H18F2N2O5 and a molecular weight of 404.37 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
PubChem CID7291060
Molecular FormulaC20H18F2N2O5
Molecular Weight404.37 g/mol
Exact Mass404.12
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H18F2N2O5/c21-20(22)29-14-9-5-12(6-10-14)19(27)28-11-17(25)24-16-4-2-1-3-15(16)18(26)23-13-7-8-13/h1-6,9-10,13,20H,7-8,11H2,(H,23,26)(H,24,25)
InChIKeyRQWCGWFCQIVARB-UHFFFAOYSA-N
XLogP2.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838966
[2-(2-cyanoanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291022
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597355
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate (CID 7291060) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is RQWCGWFCQIVARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5/c21-20(22)29-14-9-5-12(6-10-14)19(27)28-11-17(25)24-16-4-2-1-3-15(16)18(26)23-13-7-8-13/h1-6,9-10,13,20H,7-8,11H2,(H,23,26)(H,24,25).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 404.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 7291060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).