5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

C16H17ClN4O4 — CID 9075068

IUPAC5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1
InChIInChI=1S/C16H17ClN4O4/c1-19-6-8-20(9-7-19)18-16(22)15-5-4-14(25-15)12-3-2-11(21(23)24)10-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyZVXZHKWPXMMRPX-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.40
Rot. Bonds4

About 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (PubChem CID 9075068) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
PubChem CID9075068
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1
InChIInChI=1S/C16H17ClN4O4/c1-19-6-8-20(9-7-19)18-16(22)15-5-4-14(25-15)12-3-2-11(21(23)24)10-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyZVXZHKWPXMMRPX-UHFFFAOYSA-N
XLogP2.40
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9089410
5-(2-chloro-4-nitrophenyl)-N-[(1R,2S)-2-(dimethylamino)cyclopentyl]furan-2-carboxamide
CID 95776761
5-(2-chloro-4-nitrophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 51936855
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
methyl (2R)-4-[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]thiomorpholine-2-carboxylate
CID 9084177
[5-(2-chloro-4-nitrophenyl)furan-2-yl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949689
5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide
CID 97011955
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (CID 9075068) is 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is CN1CCN(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The InChIKey is ZVXZHKWPXMMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-19-6-8-20(9-7-19)18-16(22)15-5-4-14(25-15)12-3-2-11(21(23)24)10-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,22).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is sourced from PubChem (CID 9075068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).