N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide

C19H21FN2O3 — CID 119068202

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)22-17(24)11-21-18(25)13-6-4-12(5-7-13)14-8-9-16(23)15(20)10-14/h4-10,23H,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDMTOBTYPBYEUNN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide (PubChem CID 119068202) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide
PubChem CID119068202
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)22-17(24)11-21-18(25)13-6-4-12(5-7-13)14-8-9-16(23)15(20)10-14/h4-10,23H,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDMTOBTYPBYEUNN-UHFFFAOYSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118785542
N-tert-butyl-2-[[N-[(3-fluoro-4-hydroxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111797343
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111385668
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide (CID 119068202) is N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide?
The InChIKey is DMTOBTYPBYEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,3)22-17(24)11-21-18(25)13-6-4-12(5-7-13)14-8-9-16(23)15(20)10-14/h4-10,23H,11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 119068202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).