N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide

C19H21F2NO3 — CID 51942664

IUPACN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
SMILESCC[C@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO3/c1-2-16(15-10-6-7-11-17(15)25-19(20)21)22-18(23)12-13-24-14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKPEPIMQEKRKRLK-INIZCTEOSA-N
MW349.38 g/mol
LogP4.32
Rot. Bonds9

About N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide (PubChem CID 51942664) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
PubChem CID51942664
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
SMILESCC[C@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO3/c1-2-16(15-10-6-7-11-17(15)25-19(20)21)22-18(23)12-13-24-14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKPEPIMQEKRKRLK-INIZCTEOSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(difluoromethoxy)phenyl]propyl]butanamide
CID 46485327
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55656277
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
N-[1-(2-methoxyphenyl)propyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46447077
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
CID 119721294
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
CID 55696855
N-(1-cyanopropyl)-3-phenoxypropanamide
CID 61119277

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide?
The IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide (CID 51942664) is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide is CC[C@H](NC(=O)CCOc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide?
The InChIKey is KPEPIMQEKRKRLK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-2-16(15-10-6-7-11-17(15)25-19(20)21)22-18(23)12-13-24-14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide?
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide has a molecular weight of 349.38 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide is sourced from PubChem (CID 51942664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).