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

C20H19ClN2O4 — CID 55749037

IUPAC5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H19ClN2O4/c21-15-4-5-17-14(10-15)12-18(27-17)19(24)22-16-3-1-2-13(11-16)20(25)23-6-8-26-9-7-23/h1-5,10-11,18H,6-9,12H2,(H,22,24)
InChIKeyXNXLSJIDFJGPPU-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.75
Rot. Bonds3

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

5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55749037) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55749037
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H19ClN2O4/c21-15-4-5-17-14(10-15)12-18(27-17)19(24)22-16-3-1-2-13(11-16)20(25)23-6-8-26-9-7-23/h1-5,10-11,18H,6-9,12H2,(H,22,24)
InChIKeyXNXLSJIDFJGPPU-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55654534
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
(2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26692549
(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94809931
5-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 24513762
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
1-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 43062660
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-(3-acetylphenyl)-6-chloro-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4904890
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55749037) is 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is XNXLSJIDFJGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-15-4-5-17-14(10-15)12-18(27-17)19(24)22-16-3-1-2-13(11-16)20(25)23-6-8-26-9-7-23/h1-5,10-11,18H,6-9,12H2,(H,22,24).
What are the key properties of 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55749037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).