N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C13H15BrF2N2O2 — CID 111519543

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(14)6-9(15)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20)
InChIKeyCNZRGICKAOUDPW-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.15
Rot. Bonds7

About N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111519543) has the molecular formula C13H15BrF2N2O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111519543
Molecular FormulaC13H15BrF2N2O2
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H15BrF2N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(14)6-9(15)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20)
InChIKeyCNZRGICKAOUDPW-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.15
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

N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 111519510
N-(2-bromo-4,6-difluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide
CID 78828504
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 115631959
2-[[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetic acid
CID 91645749
N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423143
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423200
N'-acetyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetohydrazide
CID 115747968
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 78833894
(2-bromo-4,6-difluorophenyl)urea
CID 43347715

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111519543) is N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is CNZRGICKAOUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(14)6-9(15)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 349.18 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111519543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).