N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C21H22FN3O4 — CID 121062632

IUPACN-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H22FN3O4/c22-16-4-1-3-15(13-16)20(27)25-17-8-6-14(7-9-17)19(26)23-10-11-24-21(28)18-5-2-12-29-18/h1,3-4,6-9,13,18H,2,5,10-12H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYOYVPRGKLGKEPY-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.10
Rot. Bonds7

About N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062632) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062632
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H22FN3O4/c22-16-4-1-3-15(13-16)20(27)25-17-8-6-14(7-9-17)19(26)23-10-11-24-21(28)18-5-2-12-29-18/h1,3-4,6-9,13,18H,2,5,10-12H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYOYVPRGKLGKEPY-UHFFFAOYSA-N
XLogP2.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]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

(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062632) is N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is O=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is YOYVPRGKLGKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-16-4-1-3-15(13-16)20(27)25-17-8-6-14(7-9-17)19(26)23-10-11-24-21(28)18-5-2-12-29-18/h1,3-4,6-9,13,18H,2,5,10-12H2,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).