N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide

C16H17ClFN3O — CID 50958616

IUPACN-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
SMILESO=C(CNCCCc1cccnc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN3O/c17-13-5-6-15(14(18)9-13)21-16(22)11-20-8-2-4-12-3-1-7-19-10-12/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,21,22)
InChIKeyNQMRAWKPMSQTSR-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.04
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide (PubChem CID 50958616) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
PubChem CID50958616
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
SMILESO=C(CNCCCc1cccnc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN3O/c17-13-5-6-15(14(18)9-13)21-16(22)11-20-8-2-4-12-3-1-7-19-10-12/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,21,22)
InChIKeyNQMRAWKPMSQTSR-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.04
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

1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
N-(4-chloro-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 743539
N-carbamoyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60913081
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
CID 9099681
4-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473485

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide (CID 50958616) is N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide is O=C(CNCCCc1cccnc1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide?
The InChIKey is NQMRAWKPMSQTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-13-5-6-15(14(18)9-13)21-16(22)11-20-8-2-4-12-3-1-7-19-10-12/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,21,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide is sourced from PubChem (CID 50958616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).