(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C22H24FN3O3 — CID 52511520

IUPAC(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C22H24FN3O3/c23-16-12-18(14-19(13-16)26-8-1-2-9-26)25-21(27)15-5-3-6-17(11-15)24-22(28)20-7-4-10-29-20/h3,5-6,11-14,20H,1-2,4,7-10H2,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyRBFDATUHZVSHCV-HXUWFJFHSA-N
MW397.45 g/mol
LogP3.80
Rot. Bonds5

About (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 52511520) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID52511520
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C22H24FN3O3/c23-16-12-18(14-19(13-16)26-8-1-2-9-26)25-21(27)15-5-3-6-17(11-15)24-22(28)20-7-4-10-29-20/h3,5-6,11-14,20H,1-2,4,7-10H2,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyRBFDATUHZVSHCV-HXUWFJFHSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,5-difluoro-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55834754
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55657688
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
N-[3-[(3-chloro-2-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049754
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 52511520) is (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is RBFDATUHZVSHCV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-16-12-18(14-19(13-16)26-8-1-2-9-26)25-21(27)15-5-3-6-17(11-15)24-22(28)20-7-4-10-29-20/h3,5-6,11-14,20H,1-2,4,7-10H2,(H,24,28)(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3-fluoro-5-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 52511520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).