3-amino-1-benzofuran-2-carboxamide

C9H8N2O2 — CID 600546

IUPAC3-amino-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyFXOYSSLDDDZIJN-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.11
Rot. Bonds1

About 3-amino-1-benzofuran-2-carboxamide

3-amino-1-benzofuran-2-carboxamide (PubChem CID 600546) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-amino-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-amino-1-benzofuran-2-carboxamide
PubChem CID600546
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-amino-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1N
InChIInChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyFXOYSSLDDDZIJN-UHFFFAOYSA-N
XLogP1.11
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478
3-(aminomethyl)-1-benzofuran-2-carboxamide
CID 47003249
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
CID 16770285
tert-butyl 3-amino-1-benzofuran-2-carboxylate
CID 67529854
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
3-amino-1-benzofuran-2-carboxamide;ethyl N-(2-carbamoyl-1-benzofuran-3-yl)carbamate;ethyl carbonochloridate
CID 162166212
N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 71319911
methyl 4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoate
CID 649591
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
3-methyl-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 174597785
(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
CID 13211252
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzofuran-2-carboxamide?
The IUPAC name of 3-amino-1-benzofuran-2-carboxamide (CID 600546) is 3-amino-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-amino-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-amino-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1N.
What is the InChIKey of 3-amino-1-benzofuran-2-carboxamide?
The InChIKey is FXOYSSLDDDZIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12).
What are the key properties of 3-amino-1-benzofuran-2-carboxamide?
3-amino-1-benzofuran-2-carboxamide has a molecular weight of 176.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzofuran-2-carboxamide is sourced from PubChem (CID 600546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).