4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide

C18H17ClN2O4 — CID 9298244

IUPAC4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C18H17ClN2O4/c1-25-15-7-2-12(3-8-15)11-20(14-5-6-14)18(22)16-9-4-13(19)10-17(16)21(23)24/h2-4,7-10,14H,5-6,11H2,1H3
InChIKeyOZRLJGDKDKRMLD-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.06
Rot. Bonds6

About 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide

4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide (PubChem CID 9298244) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
PubChem CID9298244
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C18H17ClN2O4/c1-25-15-7-2-12(3-8-15)11-20(14-5-6-14)18(22)16-9-4-13(19)10-17(16)21(23)24/h2-4,7-10,14H,5-6,11H2,1H3
InChIKeyOZRLJGDKDKRMLD-UHFFFAOYSA-N
XLogP4.06
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 34193919
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
2-[(4-chloro-2-nitrobenzoyl)-cyclopropylamino]acetic acid
CID 60826097
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 55566129
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 3718652
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18201249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide (CID 9298244) is 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide is COc1ccc(CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide?
The InChIKey is OZRLJGDKDKRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-25-15-7-2-12(3-8-15)11-20(14-5-6-14)18(22)16-9-4-13(19)10-17(16)21(23)24/h2-4,7-10,14H,5-6,11H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide?
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide has a molecular weight of 360.80 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 9298244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).