N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide

C15H17NO3 — CID 52907053

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C15H17NO3/c1-15(18,11-6-7-11)9-16-14(17)13-8-10-4-2-3-5-12(10)19-13/h2-5,8,11,18H,6-7,9H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyRPOUJYKGYMYGIB-HNNXBMFYSA-N
MW259.30 g/mol
LogP2.32
Rot. Bonds4

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide (PubChem CID 52907053) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
PubChem CID52907053
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C15H17NO3/c1-15(18,11-6-7-11)9-16-14(17)13-8-10-4-2-3-5-12(10)19-13/h2-5,8,11,18H,6-7,9H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyRPOUJYKGYMYGIB-HNNXBMFYSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide (CID 52907053) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide is C[C@](O)(CNC(=O)c1cc2ccccc2o1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
The InChIKey is RPOUJYKGYMYGIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(18,11-6-7-11)9-16-14(17)13-8-10-4-2-3-5-12(10)19-13/h2-5,8,11,18H,6-7,9H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).