N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide

C16H13Cl2FN2O2 — CID 108946354

IUPACN'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O2/c17-11-5-3-7-13(16(11)18)21-15(23)8-14(22)20-9-10-4-1-2-6-12(10)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyFYPNTMOZHDZPDZ-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.78
Rot. Bonds5

About N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide

N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide (PubChem CID 108946354) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
PubChem CID108946354
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC NameN'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O2/c17-11-5-3-7-13(16(11)18)21-15(23)8-14(22)20-9-10-4-1-2-6-12(10)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyFYPNTMOZHDZPDZ-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108954936
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide (CID 108946354) is N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1F.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The InChIKey is FYPNTMOZHDZPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c17-11-5-3-7-13(16(11)18)21-15(23)8-14(22)20-9-10-4-1-2-6-12(10)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide has a molecular weight of 355.20 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).