3-benzamido-5-chloro-1-benzofuran-2-carboxamide

C16H11ClN2O3 — CID 19661939

IUPAC3-benzamido-5-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(14(22-12)15(18)20)19-16(21)9-4-2-1-3-5-9/h1-8H,(H2,18,20)(H,19,21)
InChIKeyNDUNLCKGYJWEQX-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.44
Rot. Bonds3

About 3-benzamido-5-chloro-1-benzofuran-2-carboxamide

3-benzamido-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 19661939) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-benzamido-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-benzamido-5-chloro-1-benzofuran-2-carboxamide
PubChem CID19661939
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name3-benzamido-5-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(14(22-12)15(18)20)19-16(21)9-4-2-1-3-5-9/h1-8H,(H2,18,20)(H,19,21)
InChIKeyNDUNLCKGYJWEQX-UHFFFAOYSA-N
XLogP3.44
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide
CID 143084360
5-chloro-3-[(3,5-ditert-butylbenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 175774067
N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide
CID 177442673
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
CID 67186433
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
3-acetamido-5-chloro-1-benzofuran-2-carboxylate
CID 6949708
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 11964121

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-benzamido-5-chloro-1-benzofuran-2-carboxamide (CID 19661939) is 3-benzamido-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-benzamido-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-benzamido-5-chloro-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is NDUNLCKGYJWEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(14(22-12)15(18)20)19-16(21)9-4-2-1-3-5-9/h1-8H,(H2,18,20)(H,19,21).
What are the key properties of 3-benzamido-5-chloro-1-benzofuran-2-carboxamide?
3-benzamido-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19661939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).