N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide

C21H24F2N2O3 — CID 167263462

IUPACN-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(C(C)(F)F)ccc2O)c1
InChIInChI=1S/C21H24F2N2O3/c1-20(2,3)25-19(28)13-6-5-7-16(11-13)24-18(27)12-14-10-15(21(4,22)23)8-9-17(14)26/h5-11,26H,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyBYADRTVRYVTNHM-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.21
Rot. Bonds5

About N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide (PubChem CID 167263462) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
PubChem CID167263462
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC NameN-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(C(C)(F)F)ccc2O)c1
InChIInChI=1S/C21H24F2N2O3/c1-20(2,3)25-19(28)13-6-5-7-16(11-13)24-18(27)12-14-10-15(21(4,22)23)8-9-17(14)26/h5-11,26H,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyBYADRTVRYVTNHM-UHFFFAOYSA-N
XLogP4.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
CID 139348508
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
CID 87006551
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966
N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
CID 139348151
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 78890969

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide (CID 167263462) is N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(C(C)(F)F)ccc2O)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide?
The InChIKey is BYADRTVRYVTNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-20(2,3)25-19(28)13-6-5-7-16(11-13)24-18(27)12-14-10-15(21(4,22)23)8-9-17(14)26/h5-11,26H,12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide has a molecular weight of 390.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide is sourced from PubChem (CID 167263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).