4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide

C15H14BrNO2 — CID 11841391

IUPAC4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10(18)12-3-2-4-14(9-12)17-15(19)11-5-7-13(16)8-6-11/h2-10,18H,1H3,(H,17,19)
InChIKeyRAGJLMZHMNHLCN-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.75
Rot. Bonds3

About 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide

4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 11841391) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
PubChem CID11841391
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10(18)12-3-2-4-14(9-12)17-15(19)11-5-7-13(16)8-6-11/h2-10,18H,1H3,(H,17,19)
InChIKeyRAGJLMZHMNHLCN-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide (CID 11841391) is 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1cccc(NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is RAGJLMZHMNHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10(18)12-3-2-4-14(9-12)17-15(19)11-5-7-13(16)8-6-11/h2-10,18H,1H3,(H,17,19).
What are the key properties of 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 11841391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).