3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide

C15H13FN2O3 — CID 62682180

IUPAC3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-10-3-6-12(7-4-10)17(2)15(19)11-5-8-14(18(20)21)13(16)9-11/h3-9H,1-2H3
InChIKeyFDGMWCGVNLWDRA-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.32
Rot. Bonds3

About 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide

3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide (PubChem CID 62682180) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
PubChem CID62682180
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-10-3-6-12(7-4-10)17(2)15(19)11-5-8-14(18(20)21)13(16)9-11/h3-9H,1-2H3
InChIKeyFDGMWCGVNLWDRA-UHFFFAOYSA-N
XLogP3.32
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
CID 60560008
2-[(3-fluoro-4-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 62818856
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
N-(2-cyanoethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680558
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179
3-fluoro-4-nitrobenzamide
CID 11423967
4-fluoro-N-methyl-N-[2-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 139212924

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide?
The IUPAC name of 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide (CID 62682180) is 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide is Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide?
The InChIKey is FDGMWCGVNLWDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10-3-6-12(7-4-10)17(2)15(19)11-5-8-14(18(20)21)13(16)9-11/h3-9H,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide?
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide has a molecular weight of 288.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 62682180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).