N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide

C23H18FNO — CID 169084149

IUPACN,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide
SMILESO=C(C#Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H18FNO/c24-22-14-11-19(12-15-22)13-16-23(26)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,14-15H,17-18H2
InChIKeyPAKYDWHXCZGONA-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.41
Rot. Bonds4

About N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide

N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide (PubChem CID 169084149) has the molecular formula C23H18FNO and a molecular weight of 343.40 g/mol. Its IUPAC name is N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide
PubChem CID169084149
Molecular FormulaC23H18FNO
Molecular Weight343.40 g/mol
Exact Mass343.14
IUPAC NameN,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide
SMILESO=C(C#Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H18FNO/c24-22-14-11-19(12-15-22)13-16-23(26)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,14-15H,17-18H2
InChIKeyPAKYDWHXCZGONA-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 102502892
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
ethane;ethyl 2-[benzyl-[(4-fluorophenyl)methyl]amino]-2-oxoacetate
CID 169111632
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
CID 22660942
N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42709331
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide?
The IUPAC name of N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide (CID 169084149) is N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide.
What is the SMILES notation for N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide?
The canonical SMILES for N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide is O=C(C#Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide?
The InChIKey is PAKYDWHXCZGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO/c24-22-14-11-19(12-15-22)13-16-23(26)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-12,14-15H,17-18H2.
What are the key properties of N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide?
N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide has a molecular weight of 343.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(4-fluorophenyl)prop-2-ynamide is sourced from PubChem (CID 169084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).