4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide

C14H11FN2O3 — CID 797390

IUPAC4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c1-9-2-7-12(17(19)20)8-13(9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18)
InChIKeyBYJWPWGVESKTLH-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.29
Rot. Bonds3

About 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide

4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 797390) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID797390
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c1-9-2-7-12(17(19)20)8-13(9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18)
InChIKeyBYJWPWGVESKTLH-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
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

4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
6-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497751
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
N-(2-methyl-5-nitrophenyl)-4-prop-2-enoxybenzamide
CID 2993485
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide (CID 797390) is 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is BYJWPWGVESKTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-9-2-7-12(17(19)20)8-13(9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18).
What are the key properties of 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide?
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 274.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 797390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).