2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide

C22H20F2N2O3 — CID 30670484

IUPAC2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-15-4-7-17(8-5-15)26(14-18-3-2-12-29-18)21(27)10-11-25-22(28)19-9-6-16(23)13-20(19)24/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)
InChIKeyVKQHGKBZOZRYKA-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.22
Rot. Bonds7

About 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide (PubChem CID 30670484) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
PubChem CID30670484
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-15-4-7-17(8-5-15)26(14-18-3-2-12-29-18)21(27)10-11-25-22(28)19-9-6-16(23)13-20(19)24/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)
InChIKeyVKQHGKBZOZRYKA-UHFFFAOYSA-N
XLogP4.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
CID 24657377
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
N'-ethyl-2,4-difluoro-N'-(4-methylphenyl)benzohydrazide
CID 9181911

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide (CID 30670484) is 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide is Cc1ccc(N(Cc2ccco2)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide?
The InChIKey is VKQHGKBZOZRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-15-4-7-17(8-5-15)26(14-18-3-2-12-29-18)21(27)10-11-25-22(28)19-9-6-16(23)13-20(19)24/h2-9,12-13H,10-11,14H2,1H3,(H,25,28).
What are the key properties of 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 30670484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).