N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C21H19FN2O3 — CID 55583339

IUPACN-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C21H19FN2O3/c1-24(21(26)18-8-5-13-27-18)14-19(25)23-20(15-6-3-2-4-7-15)16-9-11-17(22)12-10-16/h2-13,20H,14H2,1H3,(H,23,25)
InChIKeyAAEOICDOXBNORG-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.40
Rot. Bonds6

About N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 55583339) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID55583339
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C21H19FN2O3/c1-24(21(26)18-8-5-13-27-18)14-19(25)23-20(15-6-3-2-4-7-15)16-9-11-17(22)12-10-16/h2-13,20H,14H2,1H3,(H,23,25)
InChIKeyAAEOICDOXBNORG-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 167896219
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55543313
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
CID 81063172
N-[4-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55583343
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18269944
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 55583339) is N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is AAEOICDOXBNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-24(21(26)18-8-5-13-27-18)14-19(25)23-20(15-6-3-2-4-7-15)16-9-11-17(22)12-10-16/h2-13,20H,14H2,1H3,(H,23,25).
What are the key properties of N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55583339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).