3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide

C14H18BrNO3 — CID 113415100

IUPAC3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCC2CCOC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-18-13-3-2-11(8-12(13)15)14(17)16-6-4-10-5-7-19-9-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyDKMUKLXSMYJICW-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.61
Rot. Bonds5

About 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide

3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113415100) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID113415100
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCC2CCOC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-18-13-3-2-11(8-12(13)15)14(17)16-6-4-10-5-7-19-9-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyDKMUKLXSMYJICW-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 113415100) is 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCC2CCOC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is DKMUKLXSMYJICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-13-3-2-11(8-12(13)15)14(17)16-6-4-10-5-7-19-9-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide?
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113415100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).