1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide

C20H22N2O4 — CID 78898005

IUPAC1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCc2occc21)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C20H22N2O4/c23-17-8-2-1-5-14(17)20(25)22-11-4-7-16(22)19(24)21-15-6-3-9-18-13(15)10-12-26-18/h1-2,5,8,10,12,15-16,23H,3-4,6-7,9,11H2,(H,21,24)
InChIKeyYXPHVRCKAMTYSI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide

1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide (PubChem CID 78898005) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
PubChem CID78898005
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCc2occc21)C1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C20H22N2O4/c23-17-8-2-1-5-14(17)20(25)22-11-4-7-16(22)19(24)21-15-6-3-9-18-13(15)10-12-26-18/h1-2,5,8,10,12,15-16,23H,3-4,6-7,9,11H2,(H,21,24)
InChIKeyYXPHVRCKAMTYSI-UHFFFAOYSA-N
XLogP2.78
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide
CID 97001011
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 78857792
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
(2S)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2576189
2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 71898311
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide (CID 78898005) is 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide is O=C(NC1CCCc2occc21)C1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YXPHVRCKAMTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-17-8-2-1-5-14(17)20(25)22-11-4-7-16(22)19(24)21-15-6-3-9-18-13(15)10-12-26-18/h1-2,5,8,10,12,15-16,23H,3-4,6-7,9,11H2,(H,21,24).
What are the key properties of 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide?
1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78898005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).