2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide

C16H17FN2O3 — CID 31151745

IUPAC2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H17FN2O3/c1-11-7-8-12(22-11)10-19(2)15(20)9-18-16(21)13-5-3-4-6-14(13)17/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyGAPYKDSGBAYHLY-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.12
Rot. Bonds5

About 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 31151745) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID31151745
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H17FN2O3/c1-11-7-8-12(22-11)10-19(2)15(20)9-18-16(21)13-5-3-4-6-14(13)17/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyGAPYKDSGBAYHLY-UHFFFAOYSA-N
XLogP2.12
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490
2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107201944
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 31151745) is 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide is Cc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is GAPYKDSGBAYHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-11-7-8-12(22-11)10-19(2)15(20)9-18-16(21)13-5-3-4-6-14(13)17/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 304.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31151745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).