N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

C13H19BrN2O2 — CID 60692729

IUPACN-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-2-6-16(7-8-17)10-13(18)15-12-5-3-4-11(14)9-12/h3-5,9,17H,2,6-8,10H2,1H3,(H,15,18)
InChIKeyASYIXNITKFTMOM-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.09
Rot. Bonds7

About N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (PubChem CID 60692729) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
PubChem CID60692729
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-2-6-16(7-8-17)10-13(18)15-12-5-3-4-11(14)9-12/h3-5,9,17H,2,6-8,10H2,1H3,(H,15,18)
InChIKeyASYIXNITKFTMOM-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide 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-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 111436409
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (CID 60692729) is N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is CCCN(CCO)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The InChIKey is ASYIXNITKFTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-6-16(7-8-17)10-13(18)15-12-5-3-4-11(14)9-12/h3-5,9,17H,2,6-8,10H2,1H3,(H,15,18).
What are the key properties of N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is sourced from PubChem (CID 60692729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).