N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide

C17H16ClFN2O4 — CID 108956608

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-24-14-8-13(15(25-2)7-12(14)18)21-17(23)9-16(22)20-11-5-3-4-10(19)6-11/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXDWODMULJMKNJV-UHFFFAOYSA-N
MW366.78 g/mol
LogP3.46
Rot. Bonds6

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide (PubChem CID 108956608) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
PubChem CID108956608
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-24-14-8-13(15(25-2)7-12(14)18)21-17(23)9-16(22)20-11-5-3-4-10(19)6-11/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXDWODMULJMKNJV-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide (CID 108956608) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2cccc(F)c2)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide?
The InChIKey is XDWODMULJMKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-24-14-8-13(15(25-2)7-12(14)18)21-17(23)9-16(22)20-11-5-3-4-10(19)6-11/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide has a molecular weight of 366.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide is sourced from PubChem (CID 108956608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).