N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide

C14H18FN3O3 — CID 82034303

IUPACN-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C14H18FN3O3/c15-9-3-4-10(11(8-9)17-13(19)5-6-16)18-14(20)12-2-1-7-21-12/h3-4,8,12H,1-2,5-7,16H2,(H,17,19)(H,18,20)
InChIKeyYHCRBCFTJYCSRI-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide (PubChem CID 82034303) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
PubChem CID82034303
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C14H18FN3O3/c15-9-3-4-10(11(8-9)17-13(19)5-6-16)18-14(20)12-2-1-7-21-12/h3-4,8,12H,1-2,5-7,16H2,(H,17,19)(H,18,20)
InChIKeyYHCRBCFTJYCSRI-UHFFFAOYSA-N
XLogP1.23
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
CID 82034531
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
CID 17362633
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide (CID 82034303) is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide is NCCC(=O)Nc1cc(F)ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide?
The InChIKey is YHCRBCFTJYCSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-9-3-4-10(11(8-9)17-13(19)5-6-16)18-14(20)12-2-1-7-21-12/h3-4,8,12H,1-2,5-7,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide?
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82034303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).