2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

C22H17FN2O3 — CID 2036920

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H17FN2O3/c23-19-9-3-2-8-18(19)22(27)25(14-17-7-5-11-28-17)13-16-12-15-6-1-4-10-20(15)24-21(16)26/h1-12H,13-14H2,(H,24,26)
InChIKeyMBAGQJZWOIUAOZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.10
Rot. Bonds5

About 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 2036920) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID2036920
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H17FN2O3/c23-19-9-3-2-8-18(19)22(27)25(14-17-7-5-11-28-17)13-16-12-15-6-1-4-10-20(15)24-21(16)26/h1-12H,13-14H2,(H,24,26)
InChIKeyMBAGQJZWOIUAOZ-UHFFFAOYSA-N
XLogP4.10
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 163417678
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 4886888
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 1453577
3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430604
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242
2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394928
3-ethyl-1-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1176871
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 2036920) is 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is MBAGQJZWOIUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-19-9-3-2-8-18(19)22(27)25(14-17-7-5-11-28-17)13-16-12-15-6-1-4-10-20(15)24-21(16)26/h1-12H,13-14H2,(H,24,26).
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 376.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 2036920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).