N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide

C16H15F2NO2 — CID 883800

IUPACN-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2NO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyJAIGSEVMLZARAT-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.68
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide

N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide (PubChem CID 883800) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide
PubChem CID883800
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2NO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyJAIGSEVMLZARAT-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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VU0357121
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N-(4-Methoxy-2-methylphenyl)-acetamide
CID 95082
N-(2-fluorophenyl)-3-methoxybenzamide
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N-[4-(3-Methoxy-benzyl)-phenyl]-butyramide
CID 44264818
N-(2,4-Difluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599317
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
N-(2,4-dimethylphenyl)-3-phenoxypropanamide
CID 725623
N-(4-methoxyphenyl)-3-phenylprop-2-ynamide
CID 6470129
N-(Cinnamoyl)-4-methoxyaniline
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CID 4683060

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide (CID 883800) is N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is JAIGSEVMLZARAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide?
N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide has a molecular weight of 291.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 883800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).