(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C17H17NO2 — CID 27210785

IUPAC(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1
InChIInChI=1S/C17H17NO2/c1-11-4-3-5-15(8-11)18-17(19)13-6-7-16-14(10-13)9-12(2)20-16/h3-8,10,12H,9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyBAMKLPQVOPMVDX-GFCCVEGCSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds2

About (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 27210785) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID27210785
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1
InChIInChI=1S/C17H17NO2/c1-11-4-3-5-15(8-11)18-17(19)13-6-7-16-14(10-13)9-12(2)20-16/h3-8,10,12H,9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyBAMKLPQVOPMVDX-GFCCVEGCSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782548
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 27210785) is (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1.
What is the InChIKey of (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BAMKLPQVOPMVDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-3-5-15(8-11)18-17(19)13-6-7-16-14(10-13)9-12(2)20-16/h3-8,10,12H,9H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 27210785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).