2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide

C17H19BrN2O — CID 129381110

IUPAC2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](c1ccncc1)N(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-16(14-7-9-19-10-8-14)20(2)17(21)12-13-5-4-6-15(18)11-13/h4-11,16H,3,12H2,1-2H3/t16-/m1/s1
InChIKeyQDRZFORBXQGIGI-MRXNPFEDSA-N
MW347.26 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide

2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide (PubChem CID 129381110) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
PubChem CID129381110
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](c1ccncc1)N(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-16(14-7-9-19-10-8-14)20(2)17(21)12-13-5-4-6-15(18)11-13/h4-11,16H,3,12H2,1-2H3/t16-/m1/s1
InChIKeyQDRZFORBXQGIGI-MRXNPFEDSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
N-methyl-N-(1-pyridin-4-ylpropyl)acetamide
CID 170313482
[phenyl(pyridin-4-yl)methyl] 2-(3-bromophenyl)acetate
CID 86812894
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
1-(3-bromophenyl)-3-ethoxypentan-2-one
CID 116707451
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
1-(3-bromophenyl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458379
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
4-amino-1-(3-bromophenyl)-5-methylhexan-2-one
CID 116606363
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide (CID 129381110) is 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide is CC[C@H](c1ccncc1)N(C)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide?
The InChIKey is QDRZFORBXQGIGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-16(14-7-9-19-10-8-14)20(2)17(21)12-13-5-4-6-15(18)11-13/h4-11,16H,3,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide?
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide is sourced from PubChem (CID 129381110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).