2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide

C16H16BrNO2 — CID 71782256

IUPAC2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyNRZFFPNMJFPCEE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.30
Rot. Bonds5

About 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide

2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide (PubChem CID 71782256) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide
PubChem CID71782256
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyNRZFFPNMJFPCEE-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
8-[(2-Bromobenzoyl)amino]octanoic acid
CID 10807216
2-[2-(4-bromophenyl)ethylcarbamoyl]benzoic Acid
CID 11325490
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43391255
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzamide
CID 44271035
N-[(2S)-1,3-Dihydroxy-1-phenylpropan-2-yl]benzamide
CID 44421783
N-[(2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-heptylbenzamide
CID 44421785
N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 44560512
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-fluorobenzamide
CID 45816390
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 45884352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide (CID 71782256) is 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide is O=C(NCCC(O)c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is NRZFFPNMJFPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-9-5-4-8-13(14)16(20)18-11-10-15(19)12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20).
What are the key properties of 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide?
2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 71782256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).