(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

C18H20ClNO3 — CID 27307665

IUPAC(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1[C@H](O)CC(C)(C)C2
InChIInChI=1S/C18H20ClNO3/c1-10-15-13(21)8-18(2,3)9-14(15)23-16(10)17(22)20-12-6-4-11(19)5-7-12/h4-7,13,21H,8-9H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyXBXWECXLJOXSKX-CYBMUJFWSA-N
MW333.82 g/mol
LogP4.50
Rot. Bonds2

About (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (PubChem CID 27307665) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
PubChem CID27307665
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1[C@H](O)CC(C)(C)C2
InChIInChI=1S/C18H20ClNO3/c1-10-15-13(21)8-18(2,3)9-14(15)23-16(10)17(22)20-12-6-4-11(19)5-7-12/h4-7,13,21H,8-9H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyXBXWECXLJOXSKX-CYBMUJFWSA-N
XLogP4.50
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-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

(4R)-4-hydroxy-3,6,6-trimethyl-N-pyridin-3-yl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7596330
(4S)-N-(2,4-dimethoxyphenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 27307723
(2,4-dichlorophenyl) 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate
CID 18835052
(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 27307692
(4S)-4-hydroxy-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7377983
(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 27307706
(4Z)-N-(4-chlorophenyl)-4-(diaminomethylidenehydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835471
[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 7581205
[4-(2-fluorophenyl)piperazin-1-yl]-[(4S)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]methanone
CID 27307701
N,N-bis(cyanomethyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 18834996
3,6,6-trimethyl-4-oxo-N-phenyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 972766
N'-(4-chlorobenzoyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide
CID 18832045

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The IUPAC name of (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (CID 27307665) is (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1[C@H](O)CC(C)(C)C2.
What is the InChIKey of (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The InChIKey is XBXWECXLJOXSKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-10-15-13(21)8-18(2,3)9-14(15)23-16(10)17(22)20-12-6-4-11(19)5-7-12/h4-7,13,21H,8-9H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27307665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).