N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide

C16H13ClN2O2 — CID 62084978

IUPACN-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(N)cccc3Cl)cc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-6-13-10(7-9)8-14(21-13)16(20)19-15-11(17)3-2-4-12(15)18/h2-8H,18H2,1H3,(H,19,20)
InChIKeyZXSWPGJTCNMURH-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.23
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide

N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 62084978) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID62084978
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(N)cccc3Cl)cc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-6-13-10(7-9)8-14(21-13)16(20)19-15-11(17)3-2-4-12(15)18/h2-8H,18H2,1H3,(H,19,20)
InChIKeyZXSWPGJTCNMURH-UHFFFAOYSA-N
XLogP4.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.23
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

(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 79515377
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103789878
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
(3-bromo-2-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808186
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide (CID 62084978) is N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3c(N)cccc3Cl)cc2c1.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZXSWPGJTCNMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-5-6-13-10(7-9)8-14(21-13)16(20)19-15-11(17)3-2-4-12(15)18/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62084978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).