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

C16H16BrNO2 — CID 56765281

IUPAC2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18-11-13(19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyHLOUBZJGUQJHJS-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.78
Rot. Bonds5

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

2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 56765281) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID56765281
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18-11-13(19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20)
InChIKeyHLOUBZJGUQJHJS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
CID 91343467
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 56765281) is 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide is O=C(NCC(O)Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is HLOUBZJGUQJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18-11-13(19)10-12-6-2-1-3-7-12/h1-9,13,19H,10-11H2,(H,18,20).
What are the key properties of 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide?
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 56765281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).