(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C15H12ClNO3 — CID 95782971

IUPAC(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)[C@@H]1COc2ccccc21
InChIInChI=1S/C15H12ClNO3/c16-11-5-3-6-12(14(11)18)17-15(19)10-8-20-13-7-2-1-4-9(10)13/h1-7,10,18H,8H2,(H,17,19)/t10-/m1/s1
InChIKeyVRNGLUYUSPHLMH-SNVBAGLBSA-N
MW289.72 g/mol
LogP3.16
Rot. Bonds2

About (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 95782971) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID95782971
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)[C@@H]1COc2ccccc21
InChIInChI=1S/C15H12ClNO3/c16-11-5-3-6-12(14(11)18)17-15(19)10-8-20-13-7-2-1-4-9(10)13/h1-7,10,18H,8H2,(H,17,19)/t10-/m1/s1
InChIKeyVRNGLUYUSPHLMH-SNVBAGLBSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876586
(3S)-N-(5-cyano-2-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96503291
(3R)-N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8503338
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 95782971) is (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(Nc1cccc(Cl)c1O)[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is VRNGLUYUSPHLMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-5-3-6-12(14(11)18)17-15(19)10-8-20-13-7-2-1-4-9(10)13/h1-7,10,18H,8H2,(H,17,19)/t10-/m1/s1.
What are the key properties of (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 95782971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).