2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide

C20H22ClNO4 — CID 71803461

IUPAC2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H22ClNO4/c1-20(2,26-16-6-4-15(21)5-7-16)19(24)22-12-17(23)13-3-8-18-14(11-13)9-10-25-18/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyBRGQNTYDDNPQCV-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.28
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide (PubChem CID 71803461) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
PubChem CID71803461
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H22ClNO4/c1-20(2,26-16-6-4-15(21)5-7-16)19(24)22-12-17(23)13-3-8-18-14(11-13)9-10-25-18/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyBRGQNTYDDNPQCV-UHFFFAOYSA-N
XLogP3.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
CID 97416886
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
CID 121132014
N'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide (CID 71803461) is 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide?
The InChIKey is BRGQNTYDDNPQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-20(2,26-16-6-4-15(21)5-7-16)19(24)22-12-17(23)13-3-8-18-14(11-13)9-10-25-18/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide has a molecular weight of 375.85 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide is sourced from PubChem (CID 71803461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).