3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide

C14H18BrNO3 — CID 103280557

IUPAC3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(O)C2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-8-9-2-4-11(17)6-9/h3,5,7,9,11,17H,2,4,6,8H2,1H3,(H,16,18)
InChIKeySEZJDJHMLGXBSF-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.35
Rot. Bonds4

About 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide

3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide (PubChem CID 103280557) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
PubChem CID103280557
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCC(O)C2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-8-9-2-4-11(17)6-9/h3,5,7,9,11,17H,2,4,6,8H2,1H3,(H,16,18)
InChIKeySEZJDJHMLGXBSF-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-bromo-4-methoxy-N-(thian-2-ylmethyl)benzamide
CID 80600014
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide (CID 103280557) is 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCC(O)C2)cc1Br.
What is the InChIKey of 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide?
The InChIKey is SEZJDJHMLGXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-8-9-2-4-11(17)6-9/h3,5,7,9,11,17H,2,4,6,8H2,1H3,(H,16,18).
What are the key properties of 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide?
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 103280557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).