4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride

C14H22ClFN2O3 — CID 120561553

IUPAC4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2;/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18);1H
InChIKeyBHTSTSHPQAEVHJ-UHFFFAOYSA-N
MW320.79 g/mol
LogP2.34
Rot. Bonds8

About 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride

4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride (PubChem CID 120561553) has the molecular formula C14H22ClFN2O3 and a molecular weight of 320.79 g/mol. Its IUPAC name is 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
PubChem CID120561553
Molecular FormulaC14H22ClFN2O3
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2;/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18);1H
InChIKeyBHTSTSHPQAEVHJ-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
5-[5-fluoro-2-(2-methoxyethoxy)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119109702
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
3-(4-fluorophenyl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 112765270

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride (CID 120561553) is 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride is COCCOc1ccc(F)cc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is BHTSTSHPQAEVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3.ClH/c1-10(16)3-6-14(18)17-12-9-11(15)4-5-13(12)20-8-7-19-2;/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 320.79 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).