N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C18H18ClN3O4 — CID 7408771

IUPACN-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H18ClN3O4/c1-12-10-13(19)2-4-16(12)20-18(23)15-11-14(22(24)25)3-5-17(15)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyWUPYQBHSPARGLR-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.65
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 7408771) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID7408771
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C18H18ClN3O4/c1-12-10-13(19)2-4-16(12)20-18(23)15-11-14(22(24)25)3-5-17(15)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyWUPYQBHSPARGLR-UHFFFAOYSA-N
XLogP3.65
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55335619
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 7408771) is N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is WUPYQBHSPARGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-12-10-13(19)2-4-16(12)20-18(23)15-11-14(22(24)25)3-5-17(15)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 375.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 7408771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).