N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide

C16H13ClF2N2O3 — CID 108955436

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C16H13ClF2N2O3/c1-24-13-6-5-9(7-10(13)17)20-14(22)8-15(23)21-16-11(18)3-2-4-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeySGMQUPIEQAREIL-UHFFFAOYSA-N
MW354.74 g/mol
LogP3.59
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide

N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide (PubChem CID 108955436) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
PubChem CID108955436
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C16H13ClF2N2O3/c1-24-13-6-5-9(7-10(13)17)20-14(22)8-15(23)21-16-11(18)3-2-4-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeySGMQUPIEQAREIL-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956907
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide (CID 108955436) is N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide is COc1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The InChIKey is SGMQUPIEQAREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c1-24-13-6-5-9(7-10(13)17)20-14(22)8-15(23)21-16-11(18)3-2-4-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide has a molecular weight of 354.74 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide is sourced from PubChem (CID 108955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).