(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide

C18H17FN2O3 — CID 37396645

IUPAC(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16/h1,3-4,6-9,11,16H,2,5,10H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyVMAIPKGLIINVCS-INIZCTEOSA-N
MW328.34 g/mol
LogP3.20
Rot. Bonds4

About (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 37396645) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID37396645
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16/h1,3-4,6-9,11,16H,2,5,10H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyVMAIPKGLIINVCS-INIZCTEOSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 52511520
N-[3-[(3,5-difluoro-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55834754
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 37396247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide (CID 37396645) is (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(F)c1.
What is the InChIKey of (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is VMAIPKGLIINVCS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16/h1,3-4,6-9,11,16H,2,5,10H2,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 37396645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).