N-[4-(aminomethyl)-2-nitrophenyl]formamide

C8H9N3O3 — CID 82505373

IUPACN-[4-(aminomethyl)-2-nitrophenyl]formamide
SMILESNCc1ccc(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O3/c9-4-6-1-2-7(10-5-12)8(3-6)11(13)14/h1-3,5H,4,9H2,(H,10,12)
InChIKeyIEGDKQWSADCNPY-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.62
Rot. Bonds4

About N-[4-(aminomethyl)-2-nitrophenyl]formamide

N-[4-(aminomethyl)-2-nitrophenyl]formamide (PubChem CID 82505373) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-nitrophenyl]formamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-nitrophenyl]formamide
PubChem CID82505373
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-[4-(aminomethyl)-2-nitrophenyl]formamide
SMILESNCc1ccc(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O3/c9-4-6-1-2-7(10-5-12)8(3-6)11(13)14/h1-3,5H,4,9H2,(H,10,12)
InChIKeyIEGDKQWSADCNPY-UHFFFAOYSA-N
XLogP0.62
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(aminomethyl)-2-nitrophenyl]formamide 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

4-(aminomethyl)-N-benzyl-2-nitroaniline
CID 96664923
N-[4-(aminomethyl)-2-methylphenyl]formamide
CID 82502855
4-formamido-3-nitrobenzenesulfonic acid
CID 168651241
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
tert-butyl N-[4-(aminomethyl)-2-nitrophenyl]carbamate
CID 175668347
N-(4-butoxy-2-nitrophenyl)formamide
CID 58958317
(3-ethyl-4-nitrophenyl)methanamine
CID 168908904
methyl 4-(aminomethyl)-2-nitrobenzoate
CID 22494952
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
2-[4-(aminomethyl)-2-nitrophenoxy]acetonitrile
CID 60879441
N-(3-nitro-4-pyridinyl)formamide
CID 174895660
2-[5-(aminomethyl)-2-nitrophenyl]acetonitrile
CID 82504784

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-nitrophenyl]formamide?
The IUPAC name of N-[4-(aminomethyl)-2-nitrophenyl]formamide (CID 82505373) is N-[4-(aminomethyl)-2-nitrophenyl]formamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-nitrophenyl]formamide?
The canonical SMILES for N-[4-(aminomethyl)-2-nitrophenyl]formamide is NCc1ccc(NC=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(aminomethyl)-2-nitrophenyl]formamide?
The InChIKey is IEGDKQWSADCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-4-6-1-2-7(10-5-12)8(3-6)11(13)14/h1-3,5H,4,9H2,(H,10,12).
What are the key properties of N-[4-(aminomethyl)-2-nitrophenyl]formamide?
N-[4-(aminomethyl)-2-nitrophenyl]formamide has a molecular weight of 195.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-nitrophenyl]formamide is sourced from PubChem (CID 82505373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).