N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide

C14H12FN3O3 — CID 62167428

IUPACN-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN3O3/c1-16-11-6-7-13(18(20)21)12(8-11)14(19)17-10-4-2-9(15)3-5-10/h2-8,16H,1H3,(H,17,19)
InChIKeyQKGLZGAAYUJZNV-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.03
Rot. Bonds4

About N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide

N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide (PubChem CID 62167428) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
PubChem CID62167428
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN3O3/c1-16-11-6-7-13(18(20)21)12(8-11)14(19)17-10-4-2-9(15)3-5-10/h2-8,16H,1H3,(H,17,19)
InChIKeyQKGLZGAAYUJZNV-UHFFFAOYSA-N
XLogP3.03
TPSA84.27 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 ≤ 53.03
H-Bond Donors ≤ 52
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

N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-[(4-fluorophenyl)carbamothioyl]-5-methyl-2-nitrobenzamide
CID 2796576
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide (CID 62167428) is N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The InChIKey is QKGLZGAAYUJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-16-11-6-7-13(18(20)21)12(8-11)14(19)17-10-4-2-9(15)3-5-10/h2-8,16H,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62167428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).