4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

C10H11ClN2O2 — CID 139656076

IUPAC4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2c(N)c(Cl)cc(C(N)=O)c2O1
InChIInChI=1S/C10H11ClN2O2/c1-4-2-5-8(12)7(11)3-6(10(13)14)9(5)15-4/h3-4H,2,12H2,1H3,(H2,13,14)
InChIKeyQJUBOAOKJHRDME-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.34
Rot. Bonds1

About 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 139656076) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID139656076
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2c(N)c(Cl)cc(C(N)=O)c2O1
InChIInChI=1S/C10H11ClN2O2/c1-4-2-5-8(12)7(11)3-6(10(13)14)9(5)15-4/h3-4H,2,12H2,1H3,(H2,13,14)
InChIKeyQJUBOAOKJHRDME-UHFFFAOYSA-N
XLogP1.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 15839755
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83898955
2-methyl-5-nitro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 90644828
1-(4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117493605
4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
CID 115010479
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
CID 115010472
(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
CID 71561208
6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
CID 89396975
2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 175959549
5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
CID 174303552
3-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,1-dimethylurea
CID 117058712
6-amino-7-chloro-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid
CID 19853899

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 139656076) is 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Cc2c(N)c(Cl)cc(C(N)=O)c2O1.
What is the InChIKey of 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is QJUBOAOKJHRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-4-2-5-8(12)7(11)3-6(10(13)14)9(5)15-4/h3-4H,2,12H2,1H3,(H2,13,14).
What are the key properties of 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 226.66 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 139656076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).