N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide

C18H18ClN3O4 — CID 38104970

IUPACN-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-16-6-5-15(22(24)25)11-17(16)20-18(23)14-3-1-13(2-4-14)12-21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyZOYQDTNSQOCJRZ-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.33
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide

N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 38104970) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID38104970
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H18ClN3O4/c19-16-6-5-15(22(24)25)11-17(16)20-18(23)14-3-1-13(2-4-14)12-21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyZOYQDTNSQOCJRZ-UHFFFAOYSA-N
XLogP3.33
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.33
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

N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
CID 19062952
2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495180
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 27825531
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 32975939
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495181
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide (CID 38104970) is N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is ZOYQDTNSQOCJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-16-6-5-15(22(24)25)11-17(16)20-18(23)14-3-1-13(2-4-14)12-21-7-9-26-10-8-21/h1-6,11H,7-10,12H2,(H,20,23).
What are the key properties of N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide?
N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 375.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 38104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).