N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride

C18H21ClF2N2O2 — CID 119773627

IUPACN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-21-9-3-6-18(23)22-15-7-8-17(16(20)11-15)24-12-13-4-2-5-14(19)10-13;/h2,4-5,7-8,10-11,21H,3,6,9,12H2,1H3,(H,22,23);1H
InChIKeyKIGJKMRUCZOXGT-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.90
Rot. Bonds8

About N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride

N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119773627) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119773627
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC NameN-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-21-9-3-6-18(23)22-15-7-8-17(16(20)11-15)24-12-13-4-2-5-14(19)10-13;/h2,4-5,7-8,10-11,21H,3,6,9,12H2,1H3,(H,22,23);1H
InChIKeyKIGJKMRUCZOXGT-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119773627) is N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1.Cl.
What is the InChIKey of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is KIGJKMRUCZOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c1-21-9-3-6-18(23)22-15-7-8-17(16(20)11-15)24-12-13-4-2-5-14(19)10-13;/h2,4-5,7-8,10-11,21H,3,6,9,12H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119773627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).