N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide

C26H26F2N2O4 — CID 52734652

IUPACN-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C26H26F2N2O4/c1-3-33-23-16-22(30-26(32)17-8-6-5-7-9-17)24(34-4-2)15-21(23)29-25(31)13-10-18-14-19(27)11-12-20(18)28/h5-9,11-12,14-16H,3-4,10,13H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMLDZWRCJPFAACM-UHFFFAOYSA-N
MW468.50 g/mol
LogP5.59
Rot. Bonds10

About N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide

N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide (PubChem CID 52734652) has the molecular formula C26H26F2N2O4 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
PubChem CID52734652
Molecular FormulaC26H26F2N2O4
Molecular Weight468.50 g/mol
Exact Mass468.19
IUPAC NameN-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C26H26F2N2O4/c1-3-33-23-16-22(30-26(32)17-8-6-5-7-9-17)24(34-4-2)15-21(23)29-25(31)13-10-18-14-19(27)11-12-20(18)28/h5-9,11-12,14-16H,3-4,10,13H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMLDZWRCJPFAACM-UHFFFAOYSA-N
XLogP5.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
CID 84561426
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32990930

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide (CID 52734652) is N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is MLDZWRCJPFAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O4/c1-3-33-23-16-22(30-26(32)17-8-6-5-7-9-17)24(34-4-2)15-21(23)29-25(31)13-10-18-14-19(27)11-12-20(18)28/h5-9,11-12,14-16H,3-4,10,13H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 468.50 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 52734652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).