N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide

C12H14FN3O3 — CID 62172044

IUPACN-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
SMILESCNc1cc(C(=O)NCC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H14FN3O3/c1-14-10-4-8(11(16(18)19)5-9(10)13)12(17)15-6-7-2-3-7/h4-5,7,14H,2-3,6H2,1H3,(H,15,17)
InChIKeyCGBYAOSNUCGVHK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.92
Rot. Bonds5

About N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide

N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide (PubChem CID 62172044) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
PubChem CID62172044
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
SMILESCNc1cc(C(=O)NCC2CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H14FN3O3/c1-14-10-4-8(11(16(18)19)5-9(10)13)12(17)15-6-7-2-3-7/h4-5,7,14H,2-3,6H2,1H3,(H,15,17)
InChIKeyCGBYAOSNUCGVHK-UHFFFAOYSA-N
XLogP1.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.92
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'}

Analyze N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
4,5-difluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 63084632
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
N-(3-amino-3-oxopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62168697
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087
N-(2,2-dimethylcyclopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62180358
4-fluoro-5-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)-2-nitrobenzamide
CID 63962094
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
4-fluoro-5-(methylamino)-2-nitro-N-pyrimidin-2-ylbenzamide
CID 62172631
N-[(4-bromocyclohexyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106134710

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide (CID 62172044) is N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide is CNc1cc(C(=O)NCC2CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide?
The InChIKey is CGBYAOSNUCGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-14-10-4-8(11(16(18)19)5-9(10)13)12(17)15-6-7-2-3-7/h4-5,7,14H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide?
N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide has a molecular weight of 267.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62172044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).