N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide

C14H14FN3O2 — CID 60814898

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H14FN3O2/c15-10-3-4-11(9(8-10)2-1-7-16)18-14(20)12-5-6-13(19)17-12/h3-4,8,12H,5-7,16H2,(H,17,19)(H,18,20)
InChIKeyVUTFOFJBXLAMBE-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.35
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 60814898) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID60814898
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
SMILESNCC#Cc1cc(F)ccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H14FN3O2/c15-10-3-4-11(9(8-10)2-1-7-16)18-14(20)12-5-6-13(19)17-12/h3-4,8,12H,5-7,16H2,(H,17,19)(H,18,20)
InChIKeyVUTFOFJBXLAMBE-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 95039569
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
CID 79762974
N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103754877
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60805013
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
CID 63850539
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557462
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide (CID 60814898) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide is NCC#Cc1cc(F)ccc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VUTFOFJBXLAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-3-4-11(9(8-10)2-1-7-16)18-14(20)12-5-6-13(19)17-12/h3-4,8,12H,5-7,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 60814898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).