N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide

C15H15ClFN3O2 — CID 71981389

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cccc(F)n1
InChIInChI=1S/C15H15ClFN3O2/c1-22-12-6-5-10(16)9-11(12)19-15(21)7-8-18-14-4-2-3-13(17)20-14/h2-6,9H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyCRYFFWOJKYBUIJ-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.32
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide (PubChem CID 71981389) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
PubChem CID71981389
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cccc(F)n1
InChIInChI=1S/C15H15ClFN3O2/c1-22-12-6-5-10(16)9-11(12)19-15(21)7-8-18-14-4-2-3-13(17)20-14/h2-6,9H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyCRYFFWOJKYBUIJ-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide
CID 99842742
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide (CID 71981389) is N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide is COc1ccc(Cl)cc1NC(=O)CCNc1cccc(F)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide?
The InChIKey is CRYFFWOJKYBUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-22-12-6-5-10(16)9-11(12)19-15(21)7-8-18-14-4-2-3-13(17)20-14/h2-6,9H,7-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide has a molecular weight of 323.75 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 71981389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).