N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C13H16BrClN2O2 — CID 111423143

IUPACN-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-2-5-17(6-7-18)9-13(19)16-12-4-3-10(14)8-11(12)15/h2-4,8,18H,1,5-7,9H2,(H,16,19)
InChIKeyQEEYYBXUCSODQK-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.52
Rot. Bonds7

About N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111423143) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111423143
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-2-5-17(6-7-18)9-13(19)16-12-4-3-10(14)8-11(12)15/h2-4,8,18H,1,5-7,9H2,(H,16,19)
InChIKeyQEEYYBXUCSODQK-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 115631959
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423200
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-(4-bromo-2-chlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86913389
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423108
N-(2-acetylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 115631892
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]-prop-2-enylamino]acetic acid
CID 79269937
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111519543
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111423143) is N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is QEEYYBXUCSODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-2-5-17(6-7-18)9-13(19)16-12-4-3-10(14)8-11(12)15/h2-4,8,18H,1,5-7,9H2,(H,16,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 347.64 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111423143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).