N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide

C14H18FN3O — CID 62995123

IUPACN-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
SMILESCC(Cc1ccc(F)cc1)NCC(=O)NCCC#N
InChIInChI=1S/C14H18FN3O/c1-11(9-12-3-5-13(15)6-4-12)18-10-14(19)17-8-2-7-16/h3-6,11,18H,2,8-10H2,1H3,(H,17,19)
InChIKeyBOOSTTGMLZVQFL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.38
Rot. Bonds7

About N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide

N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide (PubChem CID 62995123) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
PubChem CID62995123
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
SMILESCC(Cc1ccc(F)cc1)NCC(=O)NCCC#N
InChIInChI=1S/C14H18FN3O/c1-11(9-12-3-5-13(15)6-4-12)18-10-14(19)17-8-2-7-16/h3-6,11,18H,2,8-10H2,1H3,(H,17,19)
InChIKeyBOOSTTGMLZVQFL-UHFFFAOYSA-N
XLogP1.38
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.38
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-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60697385
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 18124296
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide (CID 62995123) is N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide is CC(Cc1ccc(F)cc1)NCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide?
The InChIKey is BOOSTTGMLZVQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11(9-12-3-5-13(15)6-4-12)18-10-14(19)17-8-2-7-16/h3-6,11,18H,2,8-10H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide?
N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide is sourced from PubChem (CID 62995123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).