3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide

C16H15ClFNO2 — CID 91686902

IUPAC3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c17-15-9-13(18)5-4-12(15)10-21-14-6-1-11(2-7-14)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2,(H2,19,20)
InChIKeyPDUFGRFZWVEFDM-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.48
Rot. Bonds6

About 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide

3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide (PubChem CID 91686902) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide
PubChem CID91686902
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c17-15-9-13(18)5-4-12(15)10-21-14-6-1-11(2-7-14)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2,(H2,19,20)
InChIKeyPDUFGRFZWVEFDM-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide (CID 91686902) is 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide is NC(=O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide?
The InChIKey is PDUFGRFZWVEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-15-9-13(18)5-4-12(15)10-21-14-6-1-11(2-7-14)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2,(H2,19,20).
What are the key properties of 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide?
3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide has a molecular weight of 307.75 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 91686902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).