2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide

C15H21BrN2O3 — CID 115609106

IUPAC2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)18-13(19)7-8-17-14(20)11-9-10(21-4)5-6-12(11)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQQAJPHMYNDUYTH-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.49
Rot. Bonds5

About 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide

2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide (PubChem CID 115609106) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
PubChem CID115609106
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)18-13(19)7-8-17-14(20)11-9-10(21-4)5-6-12(11)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQQAJPHMYNDUYTH-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24706938
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CID 107847455
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2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
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2-bromo-N-(1-chloro-2-methylpropan-2-yl)-5-methoxybenzamide
CID 114295003
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
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CID 102685066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide (CID 115609106) is 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide?
The InChIKey is QQAJPHMYNDUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(2,3)18-13(19)7-8-17-14(20)11-9-10(21-4)5-6-12(11)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide?
2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide has a molecular weight of 357.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide is sourced from PubChem (CID 115609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).