4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide

C14H12FN3O3 — CID 107794442

IUPAC4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H12FN3O3/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18(20)21/h1-7H,8,16H2,(H,17,19)
InChIKeyVFCGJFVTXAQROJ-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide

4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide (PubChem CID 107794442) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
PubChem CID107794442
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H12FN3O3/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18(20)21/h1-7H,8,16H2,(H,17,19)
InChIKeyVFCGJFVTXAQROJ-UHFFFAOYSA-N
XLogP2.25
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
(2-nitrophenyl)methylcarbamic acid
CID 18621803
2,3-difluoro-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105381119
4-amino-N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzamide
CID 107794291
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
3-amino-N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47290749
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-nitrobenzamide
CID 115735454
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
4-methylsulfanyl-N-[(2-nitrophenyl)methyl]benzamide
CID 78891109

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide (CID 107794442) is 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide is Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide?
The InChIKey is VFCGJFVTXAQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18(20)21/h1-7H,8,16H2,(H,17,19).
What are the key properties of 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide?
4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide has a molecular weight of 289.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 107794442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).