N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide

C17H18FN3O2 — CID 108954767

IUPACN-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(2)13-9-7-12(8-10-13)19-16(22)11-17(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUNLFAZYRCAMPKS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.86
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide

N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide (PubChem CID 108954767) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
PubChem CID108954767
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
SMILESCN(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(2)13-9-7-12(8-10-13)19-16(22)11-17(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUNLFAZYRCAMPKS-UHFFFAOYSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide (CID 108954767) is N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide is CN(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide?
The InChIKey is UNLFAZYRCAMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-21(2)13-9-7-12(8-10-13)19-16(22)11-17(23)20-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide?
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide has a molecular weight of 315.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 108954767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).