4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide

C16H18N4O4 — CID 91087652

IUPAC4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
SMILESCNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O3.C8H10N2O/c1-9-8(11)6-2-4-7(5-3-6)10(12)13;1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,9,11);2-5H,9H2,1H3,(H,10,11)
InChIKeyHWHRZGJZXKRZJC-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.58
Rot. Bonds3

About 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide

4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide (PubChem CID 91087652) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
PubChem CID91087652
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
SMILESCNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O3.C8H10N2O/c1-9-8(11)6-2-4-7(5-3-6)10(12)13;1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,9,11);2-5H,9H2,1H3,(H,10,11)
InChIKeyHWHRZGJZXKRZJC-UHFFFAOYSA-N
XLogP1.58
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
methanamine;4-nitroaniline
CID 22708932
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-nitrophenyl)methyl]azanium
CID 9003026
4-nitrobenzohydrazide;hydrochloride
CID 172718286
azane;formic acid;4-nitroaniline
CID 175013455
4-nitro-N-trimethylsilylbenzamide
CID 12726300
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
sodium;hydride;4-nitroaniline
CID 174897540
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide?
The IUPAC name of 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide (CID 91087652) is 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide.
What is the SMILES notation for 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide?
The canonical SMILES for 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide is CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide?
The InChIKey is HWHRZGJZXKRZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.C8H10N2O/c1-9-8(11)6-2-4-7(5-3-6)10(12)13;1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,9,11);2-5H,9H2,1H3,(H,10,11).
What are the key properties of 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide?
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide has a molecular weight of 330.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide is sourced from PubChem (CID 91087652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).