(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16ClNO3 — CID 9083841

IUPAC(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H16ClNO3/c1-10-7-13(15(21-2)9-12(10)18)19-17(20)16-8-11-5-3-4-6-14(11)22-16/h3-7,9,16H,8H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyLOILBQHSVRZNPB-MRXNPFEDSA-N
MW317.77 g/mol
LogP3.60
Rot. Bonds3

About (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9083841) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9083841
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H16ClNO3/c1-10-7-13(15(21-2)9-12(10)18)19-17(20)16-8-11-5-3-4-6-14(11)22-16/h3-7,9,16H,8H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyLOILBQHSVRZNPB-MRXNPFEDSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013531
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103799791
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9083841) is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LOILBQHSVRZNPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10-7-13(15(21-2)9-12(10)18)19-17(20)16-8-11-5-3-4-6-14(11)22-16/h3-7,9,16H,8H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 317.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9083841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).