N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide

C19H18FN3O2 — CID 108923344

IUPACN-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESN#CCC(=O)NCc1ccc(NC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H18FN3O2/c20-17-4-2-1-3-15(17)7-10-19(25)23-16-8-5-14(6-9-16)13-22-18(24)11-12-21/h1-6,8-9H,7,10-11,13H2,(H,22,24)(H,23,25)
InChIKeyBTQJVYFGTUELFG-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.93
Rot. Bonds7

About N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide

N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 108923344) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
PubChem CID108923344
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESN#CCC(=O)NCc1ccc(NC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C19H18FN3O2/c20-17-4-2-1-3-15(17)7-10-19(25)23-16-8-5-14(6-9-16)13-22-18(24)11-12-21/h1-6,8-9H,7,10-11,13H2,(H,22,24)(H,23,25)
InChIKeyBTQJVYFGTUELFG-UHFFFAOYSA-N
XLogP2.93
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-sulfanylbenzamide
CID 108923212
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]naphthalene-1-carboxamide
CID 108923199
methyl 3-[[4-[3-(2-fluorophenyl)propanoylamino]benzoyl]amino]propanoate
CID 86917315

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide (CID 108923344) is N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide is N#CCC(=O)NCc1ccc(NC(=O)CCc2ccccc2F)cc1.
What is the InChIKey of N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is BTQJVYFGTUELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-17-4-2-1-3-15(17)7-10-19(25)23-16-8-5-14(6-9-16)13-22-18(24)11-12-21/h1-6,8-9H,7,10-11,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide?
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 108923344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).