N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide

C15H15BrN2O2 — CID 122158945

IUPACN-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(CO)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-5-1-4-12(8-13)14(10-19)18-15(20)7-11-3-2-6-17-9-11/h1-6,8-9,14,19H,7,10H2,(H,18,20)
InChIKeyYDYUKTBSXPQJFY-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.24
Rot. Bonds5

About N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide

N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide (PubChem CID 122158945) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
PubChem CID122158945
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(CO)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-5-1-4-12(8-13)14(10-19)18-15(20)7-11-3-2-6-17-9-11/h1-6,8-9,14,19H,7,10H2,(H,18,20)
InChIKeyYDYUKTBSXPQJFY-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
CID 55086755
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide (CID 122158945) is N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC(CO)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide?
The InChIKey is YDYUKTBSXPQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-5-1-4-12(8-13)14(10-19)18-15(20)7-11-3-2-6-17-9-11/h1-6,8-9,14,19H,7,10H2,(H,18,20).
What are the key properties of N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide?
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide has a molecular weight of 335.20 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 122158945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).