N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide

C16H13F4NO2 — CID 60564257

IUPACN-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H13F4NO2/c17-11-6-7-12(18)10(9-11)5-8-15(22)21-13-3-1-2-4-14(13)23-16(19)20/h1-4,6-7,9,16H,5,8H2,(H,21,22)
InChIKeyDBPAFDBWEOVNQS-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide

N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide (PubChem CID 60564257) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
PubChem CID60564257
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H13F4NO2/c17-11-6-7-12(18)10(9-11)5-8-15(22)21-13-3-1-2-4-14(13)23-16(19)20/h1-4,6-7,9,16H,5,8H2,(H,21,22)
InChIKeyDBPAFDBWEOVNQS-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110422559
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
N-[2-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 2425783
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
CID 60564533
4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 38169110

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide (CID 60564257) is N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide is O=C(CCc1cc(F)ccc1F)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide?
The InChIKey is DBPAFDBWEOVNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c17-11-6-7-12(18)10(9-11)5-8-15(22)21-13-3-1-2-4-14(13)23-16(19)20/h1-4,6-7,9,16H,5,8H2,(H,21,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide?
N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide has a molecular weight of 327.28 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 60564257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).