4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide

C14H19BrN2O3 — CID 65114999

IUPAC4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-3-14(2,20)9-17-12(18)8-16-13(19)10-4-6-11(15)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySPKIETJRVHLFOO-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.46
Rot. Bonds6

About 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide (PubChem CID 65114999) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
PubChem CID65114999
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-3-14(2,20)9-17-12(18)8-16-13(19)10-4-6-11(15)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySPKIETJRVHLFOO-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide (CID 65114999) is 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide is CCC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The InChIKey is SPKIETJRVHLFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-14(2,20)9-17-12(18)8-16-13(19)10-4-6-11(15)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide has a molecular weight of 343.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 65114999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).