4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

C17H16ClN3O4 — CID 17220839

IUPAC4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4/c18-13-3-1-12(2-4-13)17(22)19-15-6-5-14(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeySBKZKBCOMCCYCY-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (PubChem CID 17220839) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
PubChem CID17220839
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O4/c18-13-3-1-12(2-4-13)17(22)19-15-6-5-14(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeySBKZKBCOMCCYCY-UHFFFAOYSA-N
XLogP3.34
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.34
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-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (CID 17220839) is 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The InChIKey is SBKZKBCOMCCYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c18-13-3-1-12(2-4-13)17(22)19-15-6-5-14(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22).
What are the key properties of 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide has a molecular weight of 361.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17220839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).