N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

C18H18ClN3O4 — CID 50881821

IUPACN-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-26-17-7-3-2-6-12(17)18(23)20-14-11-15(21-8-4-5-9-21)16(22(24)25)10-13(14)19/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyZCBOYQYCUHQJQB-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.11
Rot. Bonds5

About N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 50881821) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID50881821
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-26-17-7-3-2-6-12(17)18(23)20-14-11-15(21-8-4-5-9-21)16(22(24)25)10-13(14)19/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyZCBOYQYCUHQJQB-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881625
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
CID 50881808
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 17117608
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 3602525
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
2-methoxy-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689148
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 50881707
N-[2-chloro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]-3-methoxybenzamide
CID 50881799

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (CID 50881821) is N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is ZCBOYQYCUHQJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-26-17-7-3-2-6-12(17)18(23)20-14-11-15(21-8-4-5-9-21)16(22(24)25)10-13(14)19/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 375.81 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 50881821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).