3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide

C21H19N3O5 — CID 7160097

IUPAC3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)C1CCCC1
InChIInChI=1S/C21H19N3O5/c25-20(13-5-1-2-6-13)23-18-16-7-3-4-8-17(16)29-19(18)21(26)22-14-9-11-15(12-10-14)24(27)28/h3-4,7-13H,1-2,5-6H2,(H,22,26)(H,23,25)
InChIKeyKMGNSTKFAMKXDP-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.72
Rot. Bonds5

About 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide

3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide (PubChem CID 7160097) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
PubChem CID7160097
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)C1CCCC1
InChIInChI=1S/C21H19N3O5/c25-20(13-5-1-2-6-13)23-18-16-7-3-4-8-17(16)29-19(18)21(26)22-14-9-11-15(12-10-14)24(27)28/h3-4,7-13H,1-2,5-6H2,(H,22,26)(H,23,25)
InChIKeyKMGNSTKFAMKXDP-UHFFFAOYSA-N
XLogP4.72
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
3-(3-methylbutanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160091
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814848
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
N-[(4-nitrophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924453
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
N-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814634
N-[(4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 3335172

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide (CID 7160097) is 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)C1CCCC1.
What is the InChIKey of 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is KMGNSTKFAMKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-20(13-5-1-2-6-13)23-18-16-7-3-4-8-17(16)29-19(18)21(26)22-14-9-11-15(12-10-14)24(27)28/h3-4,7-13H,1-2,5-6H2,(H,22,26)(H,23,25).
What are the key properties of 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide?
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7160097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).