N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide

C13H17ClN2O3 — CID 115279278

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(18)7-15-12(19)9-5-4-8(14)6-10(9)17/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyDCCPDJLXICHJOD-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.69
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide (PubChem CID 115279278) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
PubChem CID115279278
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(18)7-15-12(19)9-5-4-8(14)6-10(9)17/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyDCCPDJLXICHJOD-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
N-(2-bromoprop-2-enyl)-4-chloro-2-hydroxybenzamide
CID 115595089
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 62041969

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide (CID 115279278) is N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is DCCPDJLXICHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)16-11(18)7-15-12(19)9-5-4-8(14)6-10(9)17/h4-6,17H,7H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.69, 3 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-chloro-2-hydroxybenzamide is sourced from PubChem (CID 115279278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).