4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide

C21H17F2N3O3 — CID 155966963

IUPAC4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
SMILESNC(=O)c1ccc(OCC(F)F)c(NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C21H17F2N3O3/c22-19(23)12-29-18-6-5-16(20(24)27)11-17(18)26-21(28)15-3-1-13(2-4-15)14-7-9-25-10-8-14/h1-11,19H,12H2,(H2,24,27)(H,26,28)
InChIKeyNXTBBZNLRSKRFZ-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.74
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide

4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide (PubChem CID 155966963) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
PubChem CID155966963
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
SMILESNC(=O)c1ccc(OCC(F)F)c(NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C21H17F2N3O3/c22-19(23)12-29-18-6-5-16(20(24)27)11-17(18)26-21(28)15-3-1-13(2-4-15)14-7-9-25-10-8-14/h1-11,19H,12H2,(H2,24,27)(H,26,28)
InChIKeyNXTBBZNLRSKRFZ-UHFFFAOYSA-N
XLogP3.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 7302997
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 118065152
3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide
CID 134813216
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 71907122
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
3-(2,2-difluoroethoxy)-4-[3-(2,6-difluorophenyl)prop-2-enoylamino]benzamide
CID 126805201
1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
CID 172651092
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide
CID 167883337

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide (CID 155966963) is 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide is NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide?
The InChIKey is NXTBBZNLRSKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c22-19(23)12-29-18-6-5-16(20(24)27)11-17(18)26-21(28)15-3-1-13(2-4-15)14-7-9-25-10-8-14/h1-11,19H,12H2,(H2,24,27)(H,26,28).
What are the key properties of 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide?
4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide has a molecular weight of 397.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 155966963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).