N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C15H14BrFN2O3 — CID 55829982

IUPACN-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFN2O3/c1-9-12(4-5-22-9)15(21)19-8-14(20)18-7-10-6-11(16)2-3-13(10)17/h2-6H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyQWTQXXIVGXEKKB-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 55829982) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID55829982
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC NameN-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFN2O3/c1-9-12(4-5-22-9)15(21)19-8-14(20)18-7-10-6-11(16)2-3-13(10)17/h2-6H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyQWTQXXIVGXEKKB-UHFFFAOYSA-N
XLogP2.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617
2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55837756
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 55829982) is N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is QWTQXXIVGXEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c1-9-12(4-5-22-9)15(21)19-8-14(20)18-7-10-6-11(16)2-3-13(10)17/h2-6H,7-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 369.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55829982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).