4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide

C20H17FN2O4 — CID 9482800

IUPAC4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(F)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C20H17FN2O4/c1-22(20(24)16-6-8-18(21)19(11-16)23(25)26)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3
InChIKeySLUCXJOWRBMARO-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.17
Rot. Bonds5

About 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide

4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide (PubChem CID 9482800) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
PubChem CID9482800
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(F)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C20H17FN2O4/c1-22(20(24)16-6-8-18(21)19(11-16)23(25)26)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3
InChIKeySLUCXJOWRBMARO-UHFFFAOYSA-N
XLogP4.17
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.17
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

N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
CID 61216287
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 18192698
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
4-fluoro-N-methyl-N-[2-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 139212924
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-nitrobenzamide
CID 61426456
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 18116967
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide (CID 9482800) is 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc(F)c([N+](=O)[O-])c3)ccc2c1.
What is the InChIKey of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide?
The InChIKey is SLUCXJOWRBMARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-22(20(24)16-6-8-18(21)19(11-16)23(25)26)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3.
What are the key properties of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide?
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide has a molecular weight of 368.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 9482800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).