3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

C18H17Cl2N3O5 — CID 17127080

IUPAC3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C18H17Cl2N3O5/c1-27-17-13(19)8-11(9-14(17)20)18(24)21-12-2-3-15(16(10-12)23(25)26)22-4-6-28-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyLWIZNCQMNFYIRY-UHFFFAOYSA-N
MW426.26 g/mol
LogP4.00
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide

3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (PubChem CID 17127080) has the molecular formula C18H17Cl2N3O5 and a molecular weight of 426.26 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
PubChem CID17127080
Molecular FormulaC18H17Cl2N3O5
Molecular Weight426.26 g/mol
Exact Mass425.05
IUPAC Name3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C18H17Cl2N3O5/c1-27-17-13(19)8-11(9-14(17)20)18(24)21-12-2-3-15(16(10-12)23(25)26)22-4-6-28-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,21,24)
InChIKeyLWIZNCQMNFYIRY-UHFFFAOYSA-N
XLogP4.00
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-(4-morpholin-4-yl-3-nitrophenyl)-4-propan-2-ylbenzamide
CID 17127057
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118026
3-chloro-4-methoxy-5-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 28688204
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050523
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2979765
5-bromo-N-(4-morpholin-4-yl-3-nitrophenyl)pyridine-3-carboxamide
CID 17127152

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide (CID 17127080) is 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
The InChIKey is LWIZNCQMNFYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O5/c1-27-17-13(19)8-11(9-14(17)20)18(24)21-12-2-3-15(16(10-12)23(25)26)22-4-6-28-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,21,24).
What are the key properties of 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide?
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide has a molecular weight of 426.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17127080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).