N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide

C16H15FN2O2 — CID 108952924

IUPACN-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11-4-2-3-5-14(11)19-16(21)10-15(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLOTVVMFVERQDCK-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.10
Rot. Bonds4

About N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide

N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide (PubChem CID 108952924) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
PubChem CID108952924
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11-4-2-3-5-14(11)19-16(21)10-15(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLOTVVMFVERQDCK-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.10
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-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157463

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide (CID 108952924) is N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide?
The InChIKey is LOTVVMFVERQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11-4-2-3-5-14(11)19-16(21)10-15(20)18-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide?
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide has a molecular weight of 286.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108952924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).