3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride

C14H18ClFN2O2 — CID 119754076

IUPAC3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
SMILESCc1c(CNC(=O)CC(C)N)oc2ccc(F)cc12.Cl
InChIInChI=1S/C14H17FN2O2.ClH/c1-8(16)5-14(18)17-7-13-9(2)11-6-10(15)3-4-12(11)19-13;/h3-4,6,8H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyGEVDSAGBTJRPQO-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride (PubChem CID 119754076) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
PubChem CID119754076
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
SMILESCc1c(CNC(=O)CC(C)N)oc2ccc(F)cc12.Cl
InChIInChI=1S/C14H17FN2O2.ClH/c1-8(16)5-14(18)17-7-13-9(2)11-6-10(15)3-4-12(11)19-13;/h3-4,6,8H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyGEVDSAGBTJRPQO-UHFFFAOYSA-N
XLogP2.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride 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-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364
7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
CID 119754041
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505327
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104132
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754048
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618677
N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015471
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937953
N-tert-butyl-2-[[N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385110
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119754051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride (CID 119754076) is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride is Cc1c(CNC(=O)CC(C)N)oc2ccc(F)cc12.Cl.
What is the InChIKey of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is GEVDSAGBTJRPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2.ClH/c1-8(16)5-14(18)17-7-13-9(2)11-6-10(15)3-4-12(11)19-13;/h3-4,6,8H,5,7,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride?
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 300.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119754076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).