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

C14H17BrN2O3 — CID 86796998

IUPAC4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NC1CCCC1O
InChIInChI=1S/C14H17BrN2O3/c15-10-6-4-9(5-7-10)14(20)16-8-13(19)17-11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2,(H,16,20)(H,17,19)
InChIKeyOIXMPKOPOZQMFK-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.21
Rot. Bonds4

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

4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide (PubChem CID 86796998) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide
PubChem CID86796998
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NC1CCCC1O
InChIInChI=1S/C14H17BrN2O3/c15-10-6-4-9(5-7-10)14(20)16-8-13(19)17-11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2,(H,16,20)(H,17,19)
InChIKeyOIXMPKOPOZQMFK-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 104927312
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 110158776
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
2-bromo-N-(2-hydroxycyclopentyl)acetamide
CID 127002056
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide (CID 86796998) is 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NC1CCCC1O.
What is the InChIKey of 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OIXMPKOPOZQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-10-6-4-9(5-7-10)14(20)16-8-13(19)17-11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2,(H,16,20)(H,17,19).
What are the key properties of 4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[(2-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide has a molecular weight of 341.21 g/mol, XLogP of 1.21, 4 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-hydroxycyclopentyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86796998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).