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

C24H21ClN4O5 — CID 55750229

IUPACN-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O5/c25-17-7-5-16(6-8-17)23(30)26-20-3-1-2-4-21(20)27-24(31)19-15-18(29(32)33)9-10-22(19)28-11-13-34-14-12-28/h1-10,15H,11-14H2,(H,26,30)(H,27,31)
InChIKeyUOPWUVZVYVBLTO-UHFFFAOYSA-N
MW480.91 g/mol
LogP4.59
Rot. Bonds6

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

N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 55750229) has the molecular formula C24H21ClN4O5 and a molecular weight of 480.91 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID55750229
Molecular FormulaC24H21ClN4O5
Molecular Weight480.91 g/mol
Exact Mass480.12
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O5/c25-17-7-5-16(6-8-17)23(30)26-20-3-1-2-4-21(20)27-24(31)19-15-18(29(32)33)9-10-22(19)28-11-13-34-14-12-28/h1-10,15H,11-14H2,(H,26,30)(H,27,31)
InChIKeyUOPWUVZVYVBLTO-UHFFFAOYSA-N
XLogP4.59
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 54.59
H-Bond Donors ≤ 52
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 N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 55750229) is N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide is O=C(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is UOPWUVZVYVBLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O5/c25-17-7-5-16(6-8-17)23(30)26-20-3-1-2-4-21(20)27-24(31)19-15-18(29(32)33)9-10-22(19)28-11-13-34-14-12-28/h1-10,15H,11-14H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 480.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 55750229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).