N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide

C22H21FN2O2 — CID 97018110

IUPACN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H21FN2O2/c23-18-9-5-16(6-10-18)21(20-4-3-15-27-20)24-22(26)17-7-11-19(12-8-17)25-13-1-2-14-25/h1-2,5-14,20-21H,3-4,15H2,(H,24,26)/t20-,21+/m0/s1
InChIKeyRBKFBWIPBKVECV-LEWJYISDSA-N
MW364.42 g/mol
LogP4.27
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 97018110) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID97018110
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H21FN2O2/c23-18-9-5-16(6-10-18)21(20-4-3-15-27-20)24-22(26)17-7-11-19(12-8-17)25-13-1-2-14-25/h1-2,5-14,20-21H,3-4,15H2,(H,24,26)/t20-,21+/m0/s1
InChIKeyRBKFBWIPBKVECV-LEWJYISDSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 94633691
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75479772
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94666661
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide (CID 97018110) is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide is O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is RBKFBWIPBKVECV-LEWJYISDSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-9-5-16(6-10-18)21(20-4-3-15-27-20)24-22(26)17-7-11-19(12-8-17)25-13-1-2-14-25/h1-2,5-14,20-21H,3-4,15H2,(H,24,26)/t20-,21+/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 97018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).