N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide

C25H23ClN4O6 — CID 23101086

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 23101086) has the molecular formula C25H23ClN4O6 and a molecular weight of 510.93 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

• Compound Name: N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
• PubChem CID: 23101086
• Molecular Formula: C25H23ClN4O6
• Molecular Weight: 510.93 g/mol
• Exact Mass: 510.13
• IUPAC Name: N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
• SMILES: COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C25H23ClN4O6/c1-35-23-14-16(6-8-21(23)28-24(31)18-4-2-3-5-20(18)26)27-25(32)19-15-17(30(33)34)7-9-22(19)29-10-12-36-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,27,32)(H,28,31)
• InChIKey: BNVIIMADDHUZFH-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 123.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.93
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?

The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 23101086) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide.

What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?

The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide is COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1Cl.

What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?

The InChIKey is BNVIIMADDHUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O6/c1-35-23-14-16(6-8-21(23)28-24(31)18-4-2-3-5-20(18)26)27-25(32)19-15-17(30(33)34)7-9-22(19)29-10-12-36-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,27,32)(H,28,31).

What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 510.93 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 23101086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).