2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

C15H15ClFN3O — CID 75442225

IUPAC2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNc1ccncc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-19-6-5-14(13)20-8-11(15(18)21)7-10-1-3-12(17)4-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)
InChIKeyHWOLEGGJNGCRHH-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.63
Rot. Bonds6

About 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 75442225) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID75442225
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNc1ccncc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c16-13-9-19-6-5-14(13)20-8-11(15(18)21)7-10-1-3-12(17)4-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)
InChIKeyHWOLEGGJNGCRHH-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (CID 75442225) is 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is NC(=O)C(CNc1ccncc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is HWOLEGGJNGCRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-13-9-19-6-5-14(13)20-8-11(15(18)21)7-10-1-3-12(17)4-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 307.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 75442225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).