N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride

C19H22ClFN2O2 — CID 119438414

IUPACN-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H21FN2O2.ClH/c1-2-21-13-14-4-3-5-17(12-14)22-19(24)11-10-18(23)15-6-8-16(20)9-7-15;/h3-9,12,21H,2,10-11,13H2,1H3,(H,22,24);1H
InChIKeyLVNAOMXVWWDJNV-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.96
Rot. Bonds8

About N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119438414) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119438414
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H21FN2O2.ClH/c1-2-21-13-14-4-3-5-17(12-14)22-19(24)11-10-18(23)15-6-8-16(20)9-7-15;/h3-9,12,21H,2,10-11,13H2,1H3,(H,22,24);1H
InChIKeyLVNAOMXVWWDJNV-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795547
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride (CID 119438414) is N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride is CCNCc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is LVNAOMXVWWDJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.ClH/c1-2-21-13-14-4-3-5-17(12-14)22-19(24)11-10-18(23)15-6-8-16(20)9-7-15;/h3-9,12,21H,2,10-11,13H2,1H3,(H,22,24);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119438414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).