2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide

C18H19N3O4 — CID 2965786

IUPAC2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C18H19N3O4/c1-25-17-7-3-2-6-14(17)18(22)19-15-12-13(21(23)24)8-9-16(15)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyDHLFNAIVHKSPEU-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.46
Rot. Bonds5

About 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide

2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 2965786) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID2965786
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C18H19N3O4/c1-25-17-7-3-2-6-14(17)18(22)19-15-12-13(21(23)24)8-9-16(15)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,22)
InChIKeyDHLFNAIVHKSPEU-UHFFFAOYSA-N
XLogP3.46
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.46
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-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
2-chloro-N-[2-(4-methyl-1,4-diazepan-1-yl)-5-nitrophenyl]benzamide
CID 71719508
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
[2-(2-methoxyanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 4829003
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
CID 15990188
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
2-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid
CID 28674273

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide (CID 2965786) is 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide is COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCC1.
What is the InChIKey of 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is DHLFNAIVHKSPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-17-7-3-2-6-14(17)18(22)19-15-12-13(21(23)24)8-9-16(15)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,19,22).
What are the key properties of 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide?
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2965786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).