4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide

C20H20ClNO3 — CID 94829023

IUPAC4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C20H20ClNO3/c21-15-5-3-4-14(12-15)20(8-10-24-11-9-20)19(23)22-17-13-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,22,23)/t17-/m0/s1
InChIKeyJRVJBNJHUCIHJQ-KRWDZBQOSA-N
MW357.84 g/mol
LogP3.64
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide

4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide (PubChem CID 94829023) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
PubChem CID94829023
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C20H20ClNO3/c21-15-5-3-4-14(12-15)20(8-10-24-11-9-20)19(23)22-17-13-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,22,23)/t17-/m0/s1
InChIKeyJRVJBNJHUCIHJQ-KRWDZBQOSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
4-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120573485
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 86924024
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide (CID 94829023) is 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide is O=C(N[C@H]1COc2ccccc21)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide?
The InChIKey is JRVJBNJHUCIHJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-15-5-3-4-14(12-15)20(8-10-24-11-9-20)19(23)22-17-13-25-18-7-2-1-6-16(17)18/h1-7,12,17H,8-11,13H2,(H,22,23)/t17-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide?
4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 94829023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).