3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

C16H17BrN2O — CID 94172680

IUPAC3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1Br)c1cccnc1
InChIInChI=1S/C16H17BrN2O/c1-12(14-6-4-10-18-11-14)19-16(20)9-8-13-5-2-3-7-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyAYQFLBWEQWRKEV-GFCCVEGCSA-N
MW333.23 g/mol
LogP3.65
Rot. Bonds5

About 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (PubChem CID 94172680) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
PubChem CID94172680
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1Br)c1cccnc1
InChIInChI=1S/C16H17BrN2O/c1-12(14-6-4-10-18-11-14)19-16(20)9-8-13-5-2-3-7-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyAYQFLBWEQWRKEV-GFCCVEGCSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 51085822

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (CID 94172680) is 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is C[C@@H](NC(=O)CCc1ccccc1Br)c1cccnc1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is AYQFLBWEQWRKEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12(14-6-4-10-18-11-14)19-16(20)9-8-13-5-2-3-7-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 333.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 94172680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).