N',N'-bis[(4-fluorophenyl)methyl]propanediamide

C17H16F2N2O2 — CID 69286403

IUPACN',N'-bis[(4-fluorophenyl)methyl]propanediamide
SMILESNC(=O)CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-21(17(23)9-16(20)22)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22)
InChIKeyBLFFKAJJZUNUKL-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.37
Rot. Bonds6

About N',N'-bis[(4-fluorophenyl)methyl]propanediamide

N',N'-bis[(4-fluorophenyl)methyl]propanediamide (PubChem CID 69286403) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N',N'-bis[(4-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN',N'-bis[(4-fluorophenyl)methyl]propanediamide
PubChem CID69286403
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN',N'-bis[(4-fluorophenyl)methyl]propanediamide
SMILESNC(=O)CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-21(17(23)9-16(20)22)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22)
InChIKeyBLFFKAJJZUNUKL-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-2-oxoethyl)-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82326758
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
N-(3-amino-3-sulfanylidenepropyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 82103974
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
11-(4-fluorophenyl)undecanamide
CID 144640590
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
ethane;ethyl 2-[benzyl-[(4-fluorophenyl)methyl]amino]-2-oxoacetate
CID 169111632
ethyl 2-[(4-bromophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-oxoacetate
CID 67189052
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[(4-fluorophenyl)methyl]propanediamide?
The IUPAC name of N',N'-bis[(4-fluorophenyl)methyl]propanediamide (CID 69286403) is N',N'-bis[(4-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N',N'-bis[(4-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N',N'-bis[(4-fluorophenyl)methyl]propanediamide is NC(=O)CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of N',N'-bis[(4-fluorophenyl)methyl]propanediamide?
The InChIKey is BLFFKAJJZUNUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-14-5-1-12(2-6-14)10-21(17(23)9-16(20)22)11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22).
What are the key properties of N',N'-bis[(4-fluorophenyl)methyl]propanediamide?
N',N'-bis[(4-fluorophenyl)methyl]propanediamide has a molecular weight of 318.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[(4-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 69286403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).