N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide

C15H13ClFN3O2 — CID 71862054

IUPACN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c1-15(14(18)22,10-3-2-4-11(16)8-10)20-13(21)9-5-6-19-12(17)7-9/h2-8H,1H3,(H2,18,22)(H,20,21)
InChIKeyZYVUBODSEAVZIK-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.00
Rot. Bonds4

About N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 71862054) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID71862054
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c1-15(14(18)22,10-3-2-4-11(16)8-10)20-13(21)9-5-6-19-12(17)7-9/h2-8H,1H3,(H2,18,22)(H,20,21)
InChIKeyZYVUBODSEAVZIK-UHFFFAOYSA-N
XLogP2.00
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 71977399
N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 97085555
N-(1-amino-1-oxo-2-phenylpropan-2-yl)pyridine-4-carboxamide
CID 139000795
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
CID 75520512
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
CID 61217075
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide (CID 71862054) is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is ZYVUBODSEAVZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-15(14(18)22,10-3-2-4-11(16)8-10)20-13(21)9-5-6-19-12(17)7-9/h2-8H,1H3,(H2,18,22)(H,20,21).
What are the key properties of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide?
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 321.74 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 71862054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).