N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide

C14H20BrFN2O2 — CID 111488616

IUPACN-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(O)CCN(C)CCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O2/c1-10(19)5-7-18(2)8-6-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9-10,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyFWXOHINOSNINHQ-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.62
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide

N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide (PubChem CID 111488616) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
PubChem CID111488616
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(O)CCN(C)CCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O2/c1-10(19)5-7-18(2)8-6-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9-10,19H,5-8H2,1-2H3,(H,17,20)
InChIKeyFWXOHINOSNINHQ-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide 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-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
N-(2,4-dibromophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666901
N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 55481998
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide (CID 111488616) is N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide is CC(O)CCN(C)CCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
The InChIKey is FWXOHINOSNINHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-10(19)5-7-18(2)8-6-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9-10,19H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide has a molecular weight of 347.23 g/mol, XLogP of 2.62, 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-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide is sourced from PubChem (CID 111488616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).