N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide

C18H15ClFN3O2 — CID 108969217

IUPACN-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H15ClFN3O2/c1-18(2,16(24)22-12-7-8-14(20)13(19)9-12)17(25)23-15-6-4-3-5-11(15)10-21/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyRHCAUFGWWOOINL-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.95
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide

N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969217) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108969217
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H15ClFN3O2/c1-18(2,16(24)22-12-7-8-14(20)13(19)9-12)17(25)23-15-6-4-3-5-11(15)10-21/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyRHCAUFGWWOOINL-UHFFFAOYSA-N
XLogP3.95
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.95
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'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide (CID 108969217) is N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is RHCAUFGWWOOINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-18(2,16(24)22-12-7-8-14(20)13(19)9-12)17(25)23-15-6-4-3-5-11(15)10-21/h3-9H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide has a molecular weight of 359.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).