N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide

C16H17BrN2O — CID 122150779

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1CC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-10-18-8-7-14(11)9-16(20)19-12(2)13-3-5-15(17)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUCECOGBARXJOBU-GFCCVEGCSA-N
MW333.23 g/mol
LogP3.57
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide (PubChem CID 122150779) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide
PubChem CID122150779
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1CC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-10-18-8-7-14(11)9-16(20)19-12(2)13-3-5-15(17)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUCECOGBARXJOBU-GFCCVEGCSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide (CID 122150779) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide is Cc1cnccc1CC(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide?
The InChIKey is UCECOGBARXJOBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-18-8-7-14(11)9-16(20)19-12(2)13-3-5-15(17)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 122150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).