N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide

C14H12FN3O3 — CID 103297780

IUPACN-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N)c2)c1F
InChIInChI=1S/C14H12FN3O3/c1-8-5-11(18(20)21)7-12(13(8)15)14(19)17-10-4-2-3-9(16)6-10/h2-7H,16H2,1H3,(H,17,19)
InChIKeyKIIBHNWISDLOOK-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.88
Rot. Bonds3

About N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide

N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297780) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297780
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N)c2)c1F
InChIInChI=1S/C14H12FN3O3/c1-8-5-11(18(20)21)7-12(13(8)15)14(19)17-10-4-2-3-9(16)6-10/h2-7H,16H2,1H3,(H,17,19)
InChIKeyKIIBHNWISDLOOK-UHFFFAOYSA-N
XLogP2.88
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.88
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

2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
CID 103297109
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
N-(3-amino-4-fluorophenyl)-2-methyl-4-nitrobenzamide
CID 63257262
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297780) is N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N)c2)c1F.
What is the InChIKey of N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is KIIBHNWISDLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-5-11(18(20)21)7-12(13(8)15)14(19)17-10-4-2-3-9(16)6-10/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).