3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide

C16H16ClFN2O2 — CID 87000643

IUPAC3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)CCOc1ccc(F)cc1Cl)c1ccncc1
InChIInChI=1S/C16H16ClFN2O2/c1-11(12-4-7-19-8-5-12)20-16(21)6-9-22-15-3-2-13(18)10-14(15)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyLHVUJBAHPBIWKS-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.52
Rot. Bonds6

About 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide

3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 87000643) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID87000643
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)CCOc1ccc(F)cc1Cl)c1ccncc1
InChIInChI=1S/C16H16ClFN2O2/c1-11(12-4-7-19-8-5-12)20-16(21)6-9-22-15-3-2-13(18)10-14(15)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyLHVUJBAHPBIWKS-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 46440609
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 55773167
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 40585331
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34758807
4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 94359742

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide (CID 87000643) is 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide is CC(NC(=O)CCOc1ccc(F)cc1Cl)c1ccncc1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is LHVUJBAHPBIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-11(12-4-7-19-8-5-12)20-16(21)6-9-22-15-3-2-13(18)10-14(15)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide?
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 322.77 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 87000643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).