(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide

C13H16ClNO2 — CID 124851061

IUPAC(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)cc2c1O[C@H](C)C2
InChIInChI=1S/C13H16ClNO2/c1-7(2)15-13(16)11-6-10(14)5-9-4-8(3)17-12(9)11/h5-8H,4H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyRSSAOZJTIJEQFV-MRVPVSSYSA-N
MW253.73 g/mol
LogP2.80
Rot. Bonds2

About (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide

(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 124851061) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID124851061
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)cc2c1O[C@H](C)C2
InChIInChI=1S/C13H16ClNO2/c1-7(2)15-13(16)11-6-10(14)5-9-4-8(3)17-12(9)11/h5-8H,4H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyRSSAOZJTIJEQFV-MRVPVSSYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117425281
N-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carbonyl)-1-azabicyclo[2.2.2]octan-3-amine oxide
CID 88626010
2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 83898948
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 83885675
1-(5-chloro-7-methyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456202
5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108325
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,1-dimethylurea
CID 117061292
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
2-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 84798082
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 124851061) is (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide is CC(C)NC(=O)c1cc(Cl)cc2c1O[C@H](C)C2.
What is the InChIKey of (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is RSSAOZJTIJEQFV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-7(2)15-13(16)11-6-10(14)5-9-4-8(3)17-12(9)11/h5-8H,4H2,1-3H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 124851061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).