N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

C19H24ClFN2O2 — CID 119729502

IUPACN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-14(22-19(23)9-6-12-21-2)15-10-11-18(17(20)13-15)24-16-7-4-3-5-8-16;/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,23);1H
InChIKeyYVQCGZOQJKALGJ-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.22
Rot. Bonds8

About N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119729502) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119729502
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC NameN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-14(22-19(23)9-6-12-21-2)15-10-11-18(17(20)13-15)24-16-7-4-3-5-8-16;/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,23);1H
InChIKeyYVQCGZOQJKALGJ-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)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

1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119729502) is N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(C)c1ccc(Oc2ccccc2)c(F)c1.Cl.
What is the InChIKey of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is YVQCGZOQJKALGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2.ClH/c1-14(22-19(23)9-6-12-21-2)15-10-11-18(17(20)13-15)24-16-7-4-3-5-8-16;/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119729502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).