4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide

C16H15FN2O4 — CID 139212922

IUPAC4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15FN2O4/c1-18(10-11-3-6-13(23-2)7-4-11)16(20)12-5-8-14(17)15(9-12)19(21)22/h3-9H,10H2,1-2H3
InChIKeyGXWOUBLJUDPCLF-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.01
Rot. Bonds5

About 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide

4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide (PubChem CID 139212922) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide
PubChem CID139212922
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15FN2O4/c1-18(10-11-3-6-13(23-2)7-4-11)16(20)12-5-8-14(17)15(9-12)19(21)22/h3-9H,10H2,1-2H3
InChIKeyGXWOUBLJUDPCLF-UHFFFAOYSA-N
XLogP3.01
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.01
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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
4'-Methoxy-3-nitrobenzanilide
CID 306529
N-Methyl-P-anisanilide
CID 292687
N-[2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 726887
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
1-Methyl-4-[4-(4-nitrophenoxy)benzoyl]piperazine
CID 2233604
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-methoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
CID 2960624
N-Methyl-3,5-dinitro-N-(2-phenoxyethyl)benzamide
CID 619796
N-(3-methoxyphenyl)-3-nitrobenzamide
CID 306640
N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 888375
Methyl 2-[(4-methoxybenzoyl)amino]-3-(3-nitrophenyl)acrylate
CID 5736794

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide (CID 139212922) is 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide is COc1ccc(CN(C)C(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide?
The InChIKey is GXWOUBLJUDPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-18(10-11-3-6-13(23-2)7-4-11)16(20)12-5-8-14(17)15(9-12)19(21)22/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide?
4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide has a molecular weight of 318.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 139212922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).