N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide

C13H14ClNO2 — CID 19240925

IUPACN-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H14ClNO2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,1-3H3,(H,15,16)
InChIKeyIKFQGSDZIHZTHL-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.61
Rot. Bonds1

About N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide

N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 19240925) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
PubChem CID19240925
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC NameN-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H14ClNO2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,1-3H3,(H,15,16)
InChIKeyIKFQGSDZIHZTHL-UHFFFAOYSA-N
XLogP3.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 94806137
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide (CID 19240925) is N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide is CC(C)(C)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is IKFQGSDZIHZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide?
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 251.71 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19240925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).