N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide

C17H18F2N2O2 — CID 60504747

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
SMILESCC(NC(=O)CCc1ccncc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-12(14-3-5-15(6-4-14)23-17(18)19)21-16(22)7-2-13-8-10-20-11-9-13/h3-6,8-12,17H,2,7H2,1H3,(H,21,22)
InChIKeyIHELVYZSTSYGHO-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 60504747) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
PubChem CID60504747
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide
SMILESCC(NC(=O)CCc1ccncc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-12(14-3-5-15(6-4-14)23-17(18)19)21-16(22)7-2-13-8-10-20-11-9-13/h3-6,8-12,17H,2,7H2,1H3,(H,21,22)
InChIKeyIHELVYZSTSYGHO-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582
N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-3-pyridin-4-ylpropanamide
CID 126819969
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide (CID 60504747) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide is CC(NC(=O)CCc1ccncc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is IHELVYZSTSYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-12(14-3-5-15(6-4-14)23-17(18)19)21-16(22)7-2-13-8-10-20-11-9-13/h3-6,8-12,17H,2,7H2,1H3,(H,21,22).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 320.34 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 60504747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).