N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide

C19H20F2N2O3 — CID 139348508

IUPACN-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(F)c(F)cc2O)c1
InChIInChI=1S/C19H20F2N2O3/c1-19(2,3)23-18(26)11-5-4-6-13(7-11)22-17(25)9-12-8-14(20)15(21)10-16(12)24/h4-8,10,24H,9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySFHMJQJNJXMIRJ-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.38
Rot. Bonds4

About N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide (PubChem CID 139348508) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
PubChem CID139348508
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(F)c(F)cc2O)c1
InChIInChI=1S/C19H20F2N2O3/c1-19(2,3)23-18(26)11-5-4-6-13(7-11)22-17(25)9-12-8-14(20)15(21)10-16(12)24/h4-8,10,24H,9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySFHMJQJNJXMIRJ-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
CID 167263462
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N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
CID 87006551
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
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-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide (CID 139348508) is N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cc(F)c(F)cc2O)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide?
The InChIKey is SFHMJQJNJXMIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-19(2,3)23-18(26)11-5-4-6-13(7-11)22-17(25)9-12-8-14(20)15(21)10-16(12)24/h4-8,10,24H,9H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide has a molecular weight of 362.38 g/mol, XLogP of 3.38, 4 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-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 139348508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).