5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide

C14H20BrNO2 — CID 110893974

IUPAC5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
SMILESCC(CO)NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11(10-17)16-14(18)5-3-2-4-12-6-8-13(15)9-7-12/h6-9,11,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyPOTFMFGKBFUWDZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.66
Rot. Bonds7

About 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide

5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide (PubChem CID 110893974) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
PubChem CID110893974
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
SMILESCC(CO)NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11(10-17)16-14(18)5-3-2-4-12-6-8-13(15)9-7-12/h6-9,11,17H,2-5,10H2,1H3,(H,16,18)
InChIKeyPOTFMFGKBFUWDZ-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
CID 110428172
5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
CID 60508198
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-phenylicosa-5,8,11,14-tetraenamide
CID 44563679
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide (CID 110893974) is 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide is CC(CO)NC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide?
The InChIKey is POTFMFGKBFUWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11(10-17)16-14(18)5-3-2-4-12-6-8-13(15)9-7-12/h6-9,11,17H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide?
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide has a molecular weight of 314.22 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide is sourced from PubChem (CID 110893974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).