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

C13H19BrN2O2 — CID 60692744

IUPACN-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10(2)16(6-7-17)9-13(18)15-12-5-3-4-11(14)8-12/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyYHPJQLKANJMYTG-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.09
Rot. Bonds6

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

N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (PubChem CID 60692744) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
PubChem CID60692744
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10(2)16(6-7-17)9-13(18)15-12-5-3-4-11(14)8-12/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyYHPJQLKANJMYTG-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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(propan-2-yl)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

2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592
N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62014688
3-[[2-(4-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838316
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (CID 60692744) is N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is CC(C)N(CCO)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The InChIKey is YHPJQLKANJMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10(2)16(6-7-17)9-13(18)15-12-5-3-4-11(14)8-12/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide has a molecular weight of 315.21 g/mol, XLogP of 2.09, 6 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(propan-2-yl)amino]acetamide is sourced from PubChem (CID 60692744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).