3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide

C21H19FN2O3 — CID 60567345

IUPAC3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1F
InChIInChI=1S/C21H19FN2O3/c1-15(25)23-20-12-17(9-10-19(20)22)21(26)24(14-18-8-5-11-27-18)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySNMFIMWKMQVKBJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.22
Rot. Bonds6

About 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide

3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide (PubChem CID 60567345) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
PubChem CID60567345
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1F
InChIInChI=1S/C21H19FN2O3/c1-15(25)23-20-12-17(9-10-19(20)22)21(26)24(14-18-8-5-11-27-18)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySNMFIMWKMQVKBJ-UHFFFAOYSA-N
XLogP4.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-[5-[(N-benzylanilino)carbamoyl]-2-fluorophenyl]acetamide
CID 60564656
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 37429056
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide (CID 60567345) is 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide is CC(=O)Nc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1F.
What is the InChIKey of 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SNMFIMWKMQVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-15(25)23-20-12-17(9-10-19(20)22)21(26)24(14-18-8-5-11-27-18)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide?
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 366.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 60567345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).