3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide

C18H20BrNO2 — CID 134961710

IUPAC3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide
SMILESO=C(NCCCO)C(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c19-16-9-7-14(8-10-16)13-17(15-5-2-1-3-6-15)18(22)20-11-4-12-21/h1-3,5-10,17,21H,4,11-13H2,(H,20,22)
InChIKeyJHLUHCMRZXNQPC-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.27
Rot. Bonds7

About 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide

3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide (PubChem CID 134961710) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide
PubChem CID134961710
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide
SMILESO=C(NCCCO)C(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c19-16-9-7-14(8-10-16)13-17(15-5-2-1-3-6-15)18(22)20-11-4-12-21/h1-3,5-10,17,21H,4,11-13H2,(H,20,22)
InChIKeyJHLUHCMRZXNQPC-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.27
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

N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
N-(3-Phenyl)propyl-2-(4-bromophenylacetamide)
CID 44578696
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
CID 2117799
2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 4602436
2,2-Bis-(4-bromo-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10436754
(R,5Z,8Z,11Z,14Z)-19-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563712
2-(4-Bromophenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
CID 44578619
N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide
CID 156013047
2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 797921

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide (CID 134961710) is 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide is O=C(NCCCO)C(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide?
The InChIKey is JHLUHCMRZXNQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-16-9-7-14(8-10-16)13-17(15-5-2-1-3-6-15)18(22)20-11-4-12-21/h1-3,5-10,17,21H,4,11-13H2,(H,20,22).
What are the key properties of 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide?
3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide has a molecular weight of 362.27 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(3-hydroxypropyl)-2-phenylpropanamide is sourced from PubChem (CID 134961710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).