N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide

C14H18BrFN2O2 — CID 111423200

IUPACN-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCO)CCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-6-18(8-9-19)7-5-14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10,19H,1,5-9H2,(H,17,20)
InChIKeyVGQZMWLDEAOBLE-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.40
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide

N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide (PubChem CID 111423200) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
PubChem CID111423200
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCO)CCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-6-18(8-9-19)7-5-14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10,19H,1,5-9H2,(H,17,20)
InChIKeyVGQZMWLDEAOBLE-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.40
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-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423143
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488616
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199
3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 111423401
3-[acetyl(prop-2-enyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 113115678
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 110932129
2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 114231146

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide (CID 111423200) is N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide is C=CCN(CCO)CCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The InChIKey is VGQZMWLDEAOBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-6-18(8-9-19)7-5-14(20)17-13-4-3-11(15)10-12(13)16/h2-4,10,19H,1,5-9H2,(H,17,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide has a molecular weight of 345.21 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide is sourced from PubChem (CID 111423200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).