2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide

C16H16BrNO2 — CID 7337857

IUPAC2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
SMILESCC[C@H](O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c1-2-15(19)12-8-4-6-10-14(12)18-16(20)11-7-3-5-9-13(11)17/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyJNMQHUCDECAELN-HNNXBMFYSA-N
MW334.21 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide

2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide (PubChem CID 7337857) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
PubChem CID7337857
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
SMILESCC[C@H](O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C16H16BrNO2/c1-2-15(19)12-8-4-6-10-14(12)18-16(20)11-7-3-5-9-13(11)17/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyJNMQHUCDECAELN-HNNXBMFYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide (CID 7337857) is 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide is CC[C@H](O)c1ccccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide?
The InChIKey is JNMQHUCDECAELN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-15(19)12-8-4-6-10-14(12)18-16(20)11-7-3-5-9-13(11)17/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide?
2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide is sourced from PubChem (CID 7337857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).