N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide

C20H21FN2O4 — CID 60582417

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1
InChIInChI=1S/C20H21FN2O4/c21-15-3-1-2-14(12-15)20(8-10-26-11-9-20)19(25)23-16-4-6-17(7-5-16)27-13-18(22)24/h1-7,12H,8-11,13H2,(H2,22,24)(H,23,25)
InChIKeyBLWHNSDEDHNXTO-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.38
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide (PubChem CID 60582417) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
PubChem CID60582417
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1
InChIInChI=1S/C20H21FN2O4/c21-15-3-1-2-14(12-15)20(8-10-26-11-9-20)19(25)23-16-4-6-17(7-5-16)27-13-18(22)24/h1-7,12H,8-11,13H2,(H2,22,24)(H,23,25)
InChIKeyBLWHNSDEDHNXTO-UHFFFAOYSA-N
XLogP2.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 120567027
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100683391
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
CID 120926677
4-(3-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100680832
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide (CID 60582417) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide is NC(=O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The InChIKey is BLWHNSDEDHNXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-15-3-1-2-14(12-15)20(8-10-26-11-9-20)19(25)23-16-4-6-17(7-5-16)27-13-18(22)24/h1-7,12H,8-11,13H2,(H2,22,24)(H,23,25).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 60582417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).