N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride

C9H10Cl2FNO2 — CID 87586047

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
SMILESCl.Cl.O=CNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2.2ClH/c10-8-3-1-7(2-4-8)9(13)5-11-6-12;;/h1-4,6H,5H2,(H,11,12);2*1H
InChIKeyPIEHYWBGAUNWSB-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride

N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride (PubChem CID 87586047) has the molecular formula C9H10Cl2FNO2 and a molecular weight of 254.09 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
PubChem CID87586047
Molecular FormulaC9H10Cl2FNO2
Molecular Weight254.09 g/mol
Exact Mass253.01
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
SMILESCl.Cl.O=CNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2.2ClH/c10-8-3-1-7(2-4-8)9(13)5-11-6-12;;/h1-4,6H,5H2,(H,11,12);2*1H
InChIKeyPIEHYWBGAUNWSB-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
butyl N-[2-(4-fluorophenyl)-2-oxoethyl]carbamate
CID 138473238
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
CID 110661716
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
CID 122510744
1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
CID 94281136

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride (CID 87586047) is N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride is Cl.Cl.O=CNCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride?
The InChIKey is PIEHYWBGAUNWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2.2ClH/c10-8-3-1-7(2-4-8)9(13)5-11-6-12;;/h1-4,6H,5H2,(H,11,12);2*1H.
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride?
N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride has a molecular weight of 254.09 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride is sourced from PubChem (CID 87586047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).