N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide

C22H21FN2O2 — CID 97353435

IUPACN-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
SMILESO=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H21FN2O2/c23-18-8-6-16(7-9-18)21-15-19(10-13-27-21)24-22(26)17-4-3-5-20(14-17)25-11-1-2-12-25/h1-9,11-12,14,19,21H,10,13,15H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyMANFIIOCWHNJAM-TZIWHRDSSA-N
MW364.42 g/mol
LogP4.27
Rot. Bonds4

About N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide

N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide (PubChem CID 97353435) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
PubChem CID97353435
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
SMILESO=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H21FN2O2/c23-18-8-6-16(7-9-18)21-15-19(10-13-27-21)24-22(26)17-4-3-5-20(14-17)25-11-1-2-12-25/h1-9,11-12,14,19,21H,10,13,15H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyMANFIIOCWHNJAM-TZIWHRDSSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[(2S,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353433
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide
CID 166254372
sodium 4,5-difluoro-2-[[2-(4-fluorophenyl)oxan-4-yl]carbamoyl]benzoate
CID 167779269
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 130188063
1-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137586
4-[[2-(4-fluorophenyl)oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009820
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
CID 99717246
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
CID 154862046
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide (CID 97353435) is N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide is O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide?
The InChIKey is MANFIIOCWHNJAM-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-8-6-16(7-9-18)21-15-19(10-13-27-21)24-22(26)17-4-3-5-20(14-17)25-11-1-2-12-25/h1-9,11-12,14,19,21H,10,13,15H2,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide?
N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 97353435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).