4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide

C20H21F2N3O3 — CID 134918115

IUPAC4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1(Nc2ccc(F)cc2)CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-14-1-5-16(6-2-14)24-18(26)13-23-19(27)20(9-11-28-12-10-20)25-17-7-3-15(22)4-8-17/h1-8,25H,9-13H2,(H,23,27)(H,24,26)
InChIKeyKWZLQLJWRLGVIP-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.68
Rot. Bonds6

About 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide

4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 134918115) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID134918115
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1(Nc2ccc(F)cc2)CCOCC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H21F2N3O3/c21-14-1-5-16(6-2-14)24-18(26)13-23-19(27)20(9-11-28-12-10-20)25-17-7-3-15(22)4-8-17/h1-8,25H,9-13H2,(H,23,27)(H,24,26)
InChIKeyKWZLQLJWRLGVIP-UHFFFAOYSA-N
XLogP2.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]cycloheptane-1-carboxamide
CID 134917874
ethyl 4-(4-fluoroanilino)oxane-4-carboxylate
CID 54890141
4-[[2-(4-fluoroanilino)-2-oxoethyl]carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146133087
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
N-(4-fluorophenyl)-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003535
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide (CID 134918115) is 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide is O=C(CNC(=O)C1(Nc2ccc(F)cc2)CCOCC1)Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is KWZLQLJWRLGVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-14-1-5-16(6-2-14)24-18(26)13-23-19(27)20(9-11-28-12-10-20)25-17-7-3-15(22)4-8-17/h1-8,25H,9-13H2,(H,23,27)(H,24,26).
What are the key properties of 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide?
4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 134918115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).