N-amino-N-(4-nitrophenyl)formamide

C7H7N3O3 — CID 88681644

IUPACN-amino-N-(4-nitrophenyl)formamide
SMILESNN(C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3/c8-9(5-11)6-1-3-7(4-2-6)10(12)13/h1-5H,8H2
InChIKeyFSQMMQKZAJETGN-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.43
Rot. Bonds3

About N-amino-N-(4-nitrophenyl)formamide

N-amino-N-(4-nitrophenyl)formamide (PubChem CID 88681644) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-amino-N-(4-nitrophenyl)formamide.

Molecular Properties

Compound NameN-amino-N-(4-nitrophenyl)formamide
PubChem CID88681644
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-amino-N-(4-nitrophenyl)formamide
SMILESNN(C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3/c8-9(5-11)6-1-3-7(4-2-6)10(12)13/h1-5H,8H2
InChIKeyFSQMMQKZAJETGN-UHFFFAOYSA-N
XLogP0.43
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-2-(N-amino-4-nitroanilino)acetaldehyde
CID 88776023
azane;formic acid;4-nitroaniline
CID 175013455
N,N-dichloro-4-nitroaniline;molecular nitrogen
CID 174775109
2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
CID 89352542
bis(4-nitrophenyl)carbamic acid
CID 20515803
N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide
CID 91170030
CID 59711141
CID 59711141
tetrakis(4-nitrophenyl)gallanuide
CID 153431237
1-nitro-4-[2-(4-nitrophenyl)ethynyl]benzene
CID 622663
sodium;azane;4-nitrophenolate
CID 174872097
N-methyl-4-nitro-N-phenylaniline
CID 11287619
formyl chloride;nitrobenzene;hydrate
CID 158709717

Frequently Asked Questions

What is the IUPAC name of N-amino-N-(4-nitrophenyl)formamide?
The IUPAC name of N-amino-N-(4-nitrophenyl)formamide (CID 88681644) is N-amino-N-(4-nitrophenyl)formamide.
What is the SMILES notation for N-amino-N-(4-nitrophenyl)formamide?
The canonical SMILES for N-amino-N-(4-nitrophenyl)formamide is NN(C=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-amino-N-(4-nitrophenyl)formamide?
The InChIKey is FSQMMQKZAJETGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-9(5-11)6-1-3-7(4-2-6)10(12)13/h1-5H,8H2.
What are the key properties of N-amino-N-(4-nitrophenyl)formamide?
N-amino-N-(4-nitrophenyl)formamide has a molecular weight of 181.15 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(4-nitrophenyl)formamide is sourced from PubChem (CID 88681644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).