4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

C19H21FN4O4 — CID 71720755

IUPAC4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)ccc1F
InChIInChI=1S/C19H21FN4O4/c1-22-7-9-23(10-8-22)17-6-4-14(24(26)27)12-16(17)21-19(25)13-3-5-15(20)18(11-13)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
InChIKeyAHYWBDAIZHOANP-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.75
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (PubChem CID 71720755) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
PubChem CID71720755
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)ccc1F
InChIInChI=1S/C19H21FN4O4/c1-22-7-9-23(10-8-22)17-6-4-14(24(26)27)12-16(17)21-19(25)13-3-5-15(20)18(11-13)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)
InChIKeyAHYWBDAIZHOANP-UHFFFAOYSA-N
XLogP2.75
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (CID 71720755) is 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The InChIKey is AHYWBDAIZHOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-22-7-9-23(10-8-22)17-6-4-14(24(26)27)12-16(17)21-19(25)13-3-5-15(20)18(11-13)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide has a molecular weight of 388.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is sourced from PubChem (CID 71720755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).