N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C20H20N2O4 — CID 86996534

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O4/c23-19(15-4-5-18-14(12-15)6-9-26-18)21-17-3-1-2-16(13-17)20(24)22-7-10-25-11-8-22/h1-5,12-13H,6-11H2,(H,21,23)
InChIKeyFQHXGDCOIQHPAN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86996534) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86996534
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O4/c23-19(15-4-5-18-14(12-15)6-9-26-18)21-17-3-1-2-16(13-17)20(24)22-7-10-25-11-8-22/h1-5,12-13H,6-11H2,(H,21,23)
InChIKeyFQHXGDCOIQHPAN-UHFFFAOYSA-N
XLogP2.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86996534) is N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is FQHXGDCOIQHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(15-4-5-18-14(12-15)6-9-26-18)21-17-3-1-2-16(13-17)20(24)22-7-10-25-11-8-22/h1-5,12-13H,6-11H2,(H,21,23).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86996534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).