2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide

C14H16FN3O2 — CID 108924377

IUPAC2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
SMILESN#CCC(=O)NCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c15-12-4-1-3-11(9-12)10-14(20)18-8-2-7-17-13(19)5-6-16/h1,3-4,9H,2,5,7-8,10H2,(H,17,19)(H,18,20)
InChIKeySPZCHSUWXDEFDU-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.90
Rot. Bonds7

About 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide

2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide (PubChem CID 108924377) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
PubChem CID108924377
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
SMILESN#CCC(=O)NCCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c15-12-4-1-3-11(9-12)10-14(20)18-8-2-7-17-13(19)5-6-16/h1,3-4,9H,2,5,7-8,10H2,(H,17,19)(H,18,20)
InChIKeySPZCHSUWXDEFDU-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
CID 56793899
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-(4-chloro-2-cyanoanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 133286036
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
CID 56787217
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide (CID 108924377) is 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide is N#CCC(=O)NCCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide?
The InChIKey is SPZCHSUWXDEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-12-4-1-3-11(9-12)10-14(20)18-8-2-7-17-13(19)5-6-16/h1,3-4,9H,2,5,7-8,10H2,(H,17,19)(H,18,20).
What are the key properties of 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide?
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide is sourced from PubChem (CID 108924377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).