4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide

C18H24ClN3O4 — CID 18150649

IUPAC4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H24ClN3O4/c19-14-4-5-15(16(12-14)22(24)25)17(23)20-13-18(6-2-1-3-7-18)21-8-10-26-11-9-21/h4-5,12H,1-3,6-11,13H2,(H,20,23)
InChIKeyGHMGVRDZHFOZIS-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.01
Rot. Bonds5

About 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide

4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide (PubChem CID 18150649) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
PubChem CID18150649
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H24ClN3O4/c19-14-4-5-15(16(12-14)22(24)25)17(23)20-13-18(6-2-1-3-7-18)21-8-10-26-11-9-21/h4-5,12H,1-3,6-11,13H2,(H,20,23)
InChIKeyGHMGVRDZHFOZIS-UHFFFAOYSA-N
XLogP3.01
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 64868492
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838
4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
CID 60555753
N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 39910206
2-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitrobenzamide
CID 55658287
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide (CID 18150649) is 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide?
The InChIKey is GHMGVRDZHFOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c19-14-4-5-15(16(12-14)22(24)25)17(23)20-13-18(6-2-1-3-7-18)21-8-10-26-11-9-21/h4-5,12H,1-3,6-11,13H2,(H,20,23).
What are the key properties of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide?
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide has a molecular weight of 381.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 18150649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).